Klasyfikacja CLP (H-statements): H227 (Flammable liquids), H315 (Skin corrosion/irritation), H319 (Serious eye damage/eye irritation), H335 (Specific target organ toxicity, single exposure), H371 (Specific target organ toxicity, single exposure) (PubChem GHS)
4,99 €
Związek chemiczny do celów analitycznych i produkcyjnych.
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Palasingh C; Janewithayapun R; Cavalcanti LP; Abik F; Mikkonen KS; Cousin F. 2026. "Aggregation of Modified Glucuronoxylan in Water and DMSO." Biopolymers. https://doi.org/10.1002/bip.70091.
Befekadu R; Bosnjak N; Uhlin M; Wikman A; Sandgren P. 2025. "Innovations in Platelet Cryopreservation: Evaluation of DMSO-Free Controlled-Rate Freezing and the Role of a Deep Eutectic Solvent as an Ad
Clinical Immunology and Transfusion Medicine (KITM)
Liu H; Wang A; Chen X; Hou S; Li A. 2025. "Overestimated cytotoxicity and underestimated whitening efficacy of glabridin: A result of its poor solubility in DMSO." PloS one. https://doi.org/10.1371/jo
Data sources:
PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)
Last updated: 2026-04-26
Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO register). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.
📚 The book bibliography is awaiting generation. Curated general textbooks are available below; CAS-specific Google Books can be fetched from the admin panel.
National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.
Data retrieved via MolGod_Spectra_Remote_Fetcher (JCAMP-DX parser) and stored in the wp_molgod_spectra_cache table. Zero duplicate downloads, zero repeat queries to NIST on subsequent visits. Licensing terms are respected (only a deep link plus our own visualization is published).
Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum. ⓘ Single source ★★☆☆☆ⓘ Single source ★★☆☆☆
IR — Fourier-transform infrared
Loading IR — Fourier-transform infrared…
MS — Mass spectrometry (EI 70eV)
Loading MS — Mass spectrometry (EI 70eV)…
IR / FTIR Band Prediction (Functional Groups)
(2 bands)
Bands predicted heuristically from the SMILES (CS(=O)C) based on the Silverstein/Coates/Stuart/Smith correlation tables. Sorted in descending order of wavenumber (cm⁻¹).
Group
Range (cm⁻¹)
Mode
Intensity
Examples
C–H alifatyczne (sp3)
2850–3000
C–H stretch
silne
CCCC (butan); CC(C)C (izobutan)
Sulfotlenek (S=O)
1030–1070
S=O stretch
silne
CS(=O)C (DMSO)
Bibliography (Chicago)
Coates, John. 2000. "Interpretation of Infrared Spectra, A Practical Approach." In Encyclopedia of Analytical Chemistry, edited by Robert A. Meyers, 10815-10837. Chichester: Wiley.
Stuart, Barbara H. 2004. "Infrared Spectroscopy: Fundamentals and Applications." Chichester: Wiley.
Smith, Brian C. 2018. "Infrared Spectral Interpretation: A Systematic Approach." Boca Raton, FL: CRC Press.
Smith, Brian C. 2011. "Fundamentals of Fourier Transform Infrared Spectroscopy." 2nd ed. Boca Raton, FL: CRC Press.
Larkin, Peter. 2017. "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation." 2nd ed. Amsterdam: Elsevier.
Hesse, Manfred, Herbert Meier, and Bernd Zeeh. 2007. "Spektroskopische Methoden in der organischen Chemie." 8th ed. Stuttgart: Thieme.
Workman, Jerry, and Lois Weyer. 2012. "Practical Guide to Interpretive Near-Infrared Spectroscopy." Boca Raton, FL: CRC Press.
Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill.
Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International.
🧮 DFT vs experiment comparison (IR)
Overlay of the experimental IR spectrum on the theoretically calculated spectrum using the B3LYP/6-31G* method (scaling factor 0.9614, Scott & Radom 1996).
Experimental DFT (theoretical)
Full theoretical data (geometry, frequencies): NIST CCCBDB ↗
📚 Bibliography (Chicago)
Becke, Axel D. 1993. "Density-Functional Thermochemistry. III. The Role of Exact Exchange." Journal of Chemical Physics 98 (7): 5648–5652. Definition of the B3LYP functional.
Scott, Anthony P., and Leo Radom. 1996. "Harmonic Vibrational Frequencies: An Evaluation of Hartree–Fock, Møller–Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors." Journal of Physical Chemistry 100 (41): 16502–16513. Scaling factors for DFT (e.g., 0.9614 for B3LYP/6-31G*).
Merrick, Jeffrey P., Damian Moran, and Leo Radom. 2007. "An Evaluation of Harmonic Vibrational Frequency Scale Factors." Journal of Physical Chemistry A 111 (45): 11683–11700. An update to Scott & Radom — scale factors for newer DFT functionals.
Lee, Chengteh, Weitao Yang, and Robert G. Parr. 1988. "Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density." Physical Review B 37 (2): 785–789. The LYP correlation — complements Becke 1993 for B3LYP.
Hehre, Warren J., Robert Ditchfield, and John A. Pople. 1972. "Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets." Journal of Chemical Physics 56 (5): 2257–2261. Definition of the 6-31G* basis set (split-valence + polarization).
Johnson, Russell D., III, ed. 2022. "NIST Computational Chemistry Comparison and Benchmark Database (CCCBDB)." NIST Standard Reference Database 101, Release 22. https://cccbdb.nist.gov. Benchmark for theoretical values — the fallback link in the widget.
Cramer, Christopher J. 2004. "Essentials of Computational Chemistry: Theories and Models." 2nd ed. Chichester: Wiley. A textbook on DFT methods and vibrational frequency calculations.
Jensen, Frank. 2017. "Introduction to Computational Chemistry." 3rd ed. Chichester: Wiley. Modern computational chemistry — basis sets and methods for vibrational spectra.
Foresman, James B., and Æleen Frisch. 2015. "Exploring Chemistry with Electronic Structure Methods." 3rd ed. Wallingford, CT: Gaussian, Inc. A practical Gaussian guide — IR + Raman + NMR from DFT.
🎓 Spectrum interpretation guide (for students)
Wyjaśnienia każdego pasma w widmie — dlaczego pojawia się tam, gdzie się pojawia, i co świadczy o strukturze.
IR (infrared) (8 peaks)
The IR (infrared) spectrum contains 8 identified bands. The analysis below explains what each one means structurally and why it appears in that particular range.
C–H stretch (sp3, alkyl)CH3/CH2● high
Band "C–H stretch (sp3, alkyl)" appears in cases: 2,898.0 cm⁻¹ (weak (w)). This is the stretching vibration of aliphatic sp³ C–H bonds. Present in virtually every organic compound with an alkyl chain.
C–O stretch (alcohol primary, ester)CO● medium
Band "C–O stretch (alcohol primary, ester)" appears in cases: 1,092.0 cm⁻¹ (strong (s)). The functional group is identified based on its characteristic range (Pavia/Silverstein) — the precise physical mechanism depends on the nearest chemical neighbors.
C–N stretch (amine), C–O stretch (alcohol/ether)CN/CO● medium
Band "C–N stretch (amine), C–O stretch (alcohol/ether)" appears in cases: 1,296.0 cm⁻¹ (weak (w)). The functional group is identified based on its characteristic range (Pavia/Silverstein) — the precise physical mechanism depends on the nearest chemical neighbors.
O–H stretch (broad, COOH dimer)COOH● medium
Band "O–H stretch (broad, COOH dimer)" appears in cases: 2,978.0 cm⁻¹ (weak (w)). A very broad O–H band (~2500–3300) together with C=O (~1710) is the classic signature of a carboxylic acid (dimer).
📚 Bibliography (Chicago)
Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. A student problem-set textbook (interpretation guide companion).
Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. A classic of narrative spectral interpretation — explains "why the peak is here".
Crews, Phillip, Jaime Rodríguez, and Marcel Jaspars. 2009. "Organic Structure Analysis." 2nd ed. New York: Oxford University Press. A workflow for multi-parameter structural interpretation.
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. MS fragmentation mechanisms — McLafferty rearrangement, m/z 29 = CHO.
Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University. https://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/spectro.htm. An open educational guide to IR/NMR/MS/UV — ideal for explaining functional groups.
Hesse, Manfred, Herbert Meier, and Bernd Zeeh. 2007. "Spektroskopische Methoden in der organischen Chemie." 8th ed. Stuttgart: Thieme. The standard German textbook on spectral interpretation.
Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. A workbook with integrated interpretive narratives.
Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. A complete textbook on IR/NMR/MS/UV spectral interpretation.
🔎 Spectrum Search (JCAMP-DX)
Upload a JCAMP-DX file (.jdx, .dx, .jcm) — the system will calculate the cosine similarity against all spectra in the database and display the TOP 10 matches.
📚 Bibliography (Chicago)
McLafferty, Fred W., ed. 2018. Wiley Registry of Mass Spectral Data. 11th ed. Hoboken, NJ: Wiley. A reference MS library (~775k spectra).
Stein, Stephen E., and Donald R. Scott. 1994. "Optimization and Testing of Mass Spectral Library Search Algorithms for Compound Identification." Journal of the American Society for Mass Spectrometry 5 (9): 859–866. The cosine + dot-product algorithm of NIST MS Search.
McDonald, Robert S., and Paul A. Wilks Jr. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. The JCAMP-DX specification (extended to 5.01 for NMR/MS).
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. Cosine-similarity matching and MS fragmentation — the foundation of the search algorithm.
Sumner, Lloyd W., Alexander Amberg, Dave Barrett, Michael H. Beale, Richard Beger, Clare A. Daykin, Teresa W.-M. Fan, et al. 2007. "Proposed Minimum Reporting Standards for Chemical Analysis." Metabolomics 3 (3): 211–221. MSI Level 1-4 — confidence-level standards for spectral matching.
Stein, Stephen E. 1999. "An Integrated Method for Spectrum Extraction and Compound Identification from Gas Chromatography/Mass Spectrometry Data." Journal of the American Society for Mass Spectrometry 10 (8): 770–781. The AMDIS algorithm — deconvolution + library match (NIST).
Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. Encyclopedia entries on spectral library searching.
Smith, Brian C. 2011. "Fundamentals of Fourier Transform Infrared Spectroscopy." 2nd ed. Boca Raton, FL: CRC Press. FT-IR and the JCAMP-DX format for transmission spectra.
Larkin, Peter. 2017. "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation." 2nd ed. Amsterdam: Elsevier. Principles of IR/Raman library matching and peak preprocessing.
📐Physical & Chemical Properties (DB)
23 fields MolGod Score: Primary
Haynes, William M., ed. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press/Taylor & Francis. ISBN 978-1-032-55554-4. ↗
National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
Mannhold, Raimund, and Han van de Waterbeemd. 2001. "Substructure and Whole Molecule Approaches for Calculating Log P." Journal of Computer-Aided Molecular Design 15 (4): 337–354. ↗
Perrin, Ditlev D., Boyd Dempsey, and E. P. Serjeant. 1981. pKa Prediction for Organic Acids and Bases. London: Chapman and Hall. ISBN 0-412-21090-5.
Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
Ertl, Peter, Bernhard Rohde, and Paul Selzer. 2000. "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties." Journal of Medicinal Chemistry 43 (20): 3714–3717. ↗
🔄 Concentration unit converter LIVEMolGod_UNITCONV_1
Enter the Dimethyl Sulfoxide concentration in any unit — the rest will be calculated automatically.
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity
c (mol/L) = (g/L) / MW
±0.1% (depends on MW precision)
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity
c (mol/L) = mmol/L × 10⁻³
Exact
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin
T(K) = t(°C) + 273.15
±0.01 K (ITS-90 scale)
BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit
T(°F) = T(°C) × 9/5 + 32
±0.1 °F
Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity
c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL
±0.1% when ρ known to 3 decimals
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliography (8 authoritative sources)
Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008 → Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7 → Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗ → International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗ → General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗ → Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010 → Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook → Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5 → Historical predecessor of IUPAC Green Book
Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
International Association for the Properties of Water and Steam (IAPWS). 1997. "Release on the Static Dielectric Constant of Ordinary Water Substance." IAPWS R8-97. [link ↗]
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834. [link ↗]
IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183. [link ↗]
Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
Armarego, Wilfred L. F., and Christina Li Lin Chai. 2009. Purification of Laboratory Chemicals. 6th ed. Oxford: Butterworth-Heinemann. https://doi.org/10.1016/B978-1-85617-567-8.50003-3. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
Solubility theory (applied in compatibility prediction):
Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
PubChem Compound Database — CAS 67-68-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.
Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.
🛡️ Safety — CAS 67-68-5MolGod_SAFEHUB_MAIN
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.
GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).
P210 — Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification).
Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.
☢️ Toxicological data (IARC + EPA CTX)
📖 Toxicological summary
Dimetylosulfotlenek (DMSO, CAS 67-68-5; EC 200-664-3) jest aprotonowym polarnym rozpuszczalnikiem o wyjątkowo niskiej toksyczności ostrej. LD50 doustnie u szczura wynosi 14 500 mg/kg masy ciała wg dossier ECHA REACH [1] i danych RTECS [2]; cross-referencja [1,2]; substancja klasy 5 Hodge'a i Sternera ("praktycznie nieszkodliwa"). NIOSH nie ustala limitów narażenia zawodowego; substancja nie figuruje w listach OSHA PEL ani ACGIH TLV [3]. IARC nie zaklasyfikowała DMSO [4]; brak CMR w Aneksie VI CLP [1]. DMSO jest zatwierdzonym przez FDA nośnikiem farmaceutycznym (Inactive Ingredient Database) w preparatach miejscowych i pozajelitowych; lecznicze zastosowanie DMSO zostało zatwierdzone przez FDA w 1978 r. dla śródpęcherzowego leczenia śródmiąższowego zapalenia pęcherza (DMSO 50%) [5]. Wyjątkowa właściwość penetracji: DMSO przenika skórę i błony biologiczne w ciągu sekund, transportując jednocześnie cząsteczki rozpuszczone — wymaga ostrożności przy jednoczesnej ekspozycji na inne substancje chemiczne. Charakterystyczny marker narażenia: przenoszenie zapachu "czosnku/ostryg" do wydychanego powietrza i moczu przez metabolit dimetylosulfid [6].
🔖 Source citations (6) — Chicago Notes-Bibliography
U.S. National Institute for Occupational Safety and Health (NIOSH) / RTECS. 2023. "Dimethyl Sulfoxide (CAS 67-68-5)." RTECS No. PV6210000. Atlanta: CDC/NIOSH. https://www.cdc.gov/niosh/rtecs/.
U.S. National Institute for Occupational Safety and Health (NIOSH). 2007. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Pub. No. 2007-151. Rev. 2018. Atlanta: CDC/NIOSH. https://www.cdc.gov/niosh/npg/. [Brak wpisu REL/PEL dla DMSO.]
International Agency for Research on Cancer (IARC). 2025. "List of Classifications." Lyon: IARC/WHO. https://monographs.iarc.who.int/list-of-classifications/. [CAS 67-68-5 nie sklasyfikowany.]
U.S. Food and Drug Administration (FDA). 2023. "Dimethyl Sulfoxide (DMSO) — Approved Drug Products." Silver Spring, MD: FDA. https://www.accessdata.fda.gov/scripts/cder/daf/. [NDA 017423; śródpęcherzowe leczenie IC, zatwierdzone 1978.]
Santos, Nuno C., João Figueira-Coelho, João Martins-Silva, and Carlota Saldanha. 2003. "Multidisciplinary Utilization of Dimethyl Sulfoxide: Pharmacological, Cellular, and Molecular Aspects." Biochemical Pharmacology 65(7):1035–1041. DOI: 10.1016/S0006-2952(03)00046-X. [Peer-reviewed; przegląd zastosowań; metabolizm; marker oddechowy.]
Format: Chicago Notes-Bibliography (numbered). [n,m] = cross-reference: both sources independently confirm the same value. DOI links = peer-reviewed scientific studies. RESTRICTED = access via a scientific library.
No individual IARC entry for this CAS
No separate IARC monograph in the checked lists — this is NOT confirmation of a lack of carcinogenicity. Check the CLP/GHS classification (CMR / GHS section).
🌍 Ecotoxicology & environmental fate (SDS sec. 8/12)
No harmonized CLP classification (Annex VI) is available for this CAS number. The codes below are aggregated supplier self-classifications (ECHA C&L notifications made available via PubChem) — they are NOT a harmonized classification and may be redundant. The supplier's Safety Data Sheet (SDS) remains the binding source.
U.S. National Institute for Occupational Safety and Health (NIOSH) / RTECS. 2023. "Dimethyl Sulfoxide (CAS 67-68-5)." RTECS No. PV6210000. Atlanta: CDC/NIOSH. https://www.cdc.gov/niosh/rtecs/. 🔗
U.S. National Institute for Occupational Safety and Health (NIOSH). 2007. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Pub. No. 2007-151. Rev. 2018. Atlanta: CDC/NIOSH. https://www.cdc.gov/niosh/npg/. [Brak wpisu REL/PEL dla DMSO.] 🔗
International Agency for Research on Cancer (IARC). 2025. "List of Classifications." Lyon: IARC/WHO. https://monographs.iarc.who.int/list-of-classifications/. [CAS 67-68-5 nie sklasyfikowany.] 🔗
U.S. Food and Drug Administration (FDA). 2023. "Dimethyl Sulfoxide (DMSO) — Approved Drug Products." Silver Spring, MD: FDA. https://www.accessdata.fda.gov/scripts/cder/daf/. [NDA 017423; śródpęcherzowe leczenie IC, zatwierdzone 1978.] 🔗
Santos, Nuno C., João Figueira-Coelho, João Martins-Silva, and Carlota Saldanha. 2003. "Multidisciplinary Utilization of Dimethyl Sulfoxide: Pharmacological, Cellular, and Molecular Aspects." Biochemical Pharmacology 65(7):1035–1041. DOI: 10.1016/S0006-2952(03)00046-X. [Peer-reviewed; przegląd zastosowań; metabolizm; marker oddechowy.] [DOI]
📖 General toxicological literature (module)
Palasingh C; Janewithayapun R; Cavalcanti LP; Abik F; Mikkonen KS; Cousin F. 2026. "Aggregation of Modified Glucuronoxylan in Water and DMSO." Biopolymers. https://doi.org/10.1002/bip.70091. [DOI]
Huang CJ; Chiu L; Chuang HJ; Wu SM. 2026. "Transgenerational effects of maternal exposure to diethyl phthalate (DEP) and dimethyl sulfoxide (DMSO) in zebrafish (Danio rerio)." Aquatic toxicology (Amsterdam, Netherlands). https://doi.org/10.1016/j.aquatox.2026.107787. [DOI]
Ismail OA; Stape THS; Shaalan O; Taymour N; Basha IE; Alsamoully WMA. 2026. "Clinical evaluation of composite restorations placed on dimethyl sulfoxide-treated cervical carious lesions: a 36-month randomized double-blind controlled trial." Journal of dentistry. https://doi.org/10.1016/j.jdent.2026.106587. [tło tematyczne — CAS niezweryfikowany w tej publikacji] [DOI]
Klbik I; Melicherčík M; Račko D; Maťko I; Lakota J; Šauša O. 2026. "Reassessing DMSO-lipid interactions: Improved AMBER force fields emphasize solvent rather than bilayer effects in cryoprotection." Biochimica et biophysica acta. Biomembranes. https://doi.org/10.1016/j.bbamem.2025.184481. [DOI]
Befekadu R; Bosnjak N; Uhlin M; Wikman A; Sandgren P. 2025. "Innovations in Platelet Cryopreservation: Evaluation of DMSO-Free Controlled-Rate Freezing and the Role of a Deep Eutectic Solvent as an Additional Cryoprotective Agent." International journal of molecular sciences. https://doi.org/10.3390/ijms262010013. [DOI]
Chen C; Chong J; Bertoft E; Zhu F. 2025. "Chemical gelatinization of pea and chickpea starch granules in dimethyl sulfoxide: Structural and physicochemical analysis." Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2025.124293. [DOI]
Ghonyan S; Poghosyan D; Martirosyan A; Margaryan S; Avetisyan A; Khachatryan Z. 2025. "Unraveling the functional landscape of ATRA- and DMSO-differentiated HL-60 cells." PloS one. https://doi.org/10.1371/journal.pone.0331783. [DOI]
Kolić D; Gerlits O; Kucharski M; Gorecki L; Joiner N; Kovalevsky A. 2025. "Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE." Chemico-biological interactions. https://doi.org/10.1016/j.cbi.2025.111649. [DOI]
Liu H; Wang A; Chen X; Hou S; Li A. 2025. "Overestimated cytotoxicity and underestimated whitening efficacy of glabridin: A result of its poor solubility in DMSO." PloS one. https://doi.org/10.1371/journal.pone.0325247. [DOI]
International Agency for Research on Cancer (IARC). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans." Lyon: IARC. 🔗
U.S. EPA. 2024. "ECOTOX Knowledgebase." Washington, DC: U.S. Environmental Protection Agency. 🔗
ECHA. 2024. "Chemical Safety Assessment." European Chemicals Agency. 🔗
U.S. National Toxicology Program. 2024. Report on Carcinogens. 15th ed. Research Triangle Park, NC: National Institute of Environmental Health Sciences. 🔗
GESTIS. 2024. "GESTIS Substance Database." Institute for Occupational Safety and Health of the German Social Accident Insurance (DGUV). 🔗
U.S. EPA. 2024. "CompTox Chemicals Dashboard." Washington, DC: U.S. Environmental Protection Agency. 🔗
🆘 First Aid — Emergency ProceduresCAS 67-68-5
Warning
Hazard class: Irritant
⚠️ IMPORTANT:
In case of a serious incident — call 112 or the Poison Control Center: +48 42 631 47 24 (Łódź).
DMSO: penetrant — do not apply together with other chemicals (systemic transfer). Do NOT use latex gloves.
🩹
Skin contact
⏱ Timeline: Brak ostrych objawów; ewentualne podrażnienie po >30 min
🔴 Symptoms
Pieczenie, swędzenie
PENETRANT — przenosi rozpuszczone substancje przez skórę
Czosnkowy posmak/zapach z ust w 1 min
✅ What to do
Zdejmij odzież NATYCHMIAST
Spłucz dużą ilością wody 15 min
Sprawdź czy DMSO nie zawierał innych chemikaliów (przenosi je do krwiobiegu)
❌ What to avoid
NIGDY nie nakładaj DMSO z innymi chemikaliami na skórę (przenoszenie systemowe)
NIE używaj rękawic lateksowych (przenikają DMSO)
🚑 Ambulance: Brak — utrzymujące się objawy >24h skontaktuj lekarza POZ
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, Neal A. Lewin, Lewis S. Nelson, and Silas W. Smith. 2019. Goldfrank's Toxicologic Emergencies. McGraw-Hill Education.
Olson, Kent R., Ilene B. Anderson, Neal L. Benowitz, Paul D. Blanc, Richard F. Clark, Thomas E. Kearney, Susan Y. Kim-Katz, and Alan H. B. Wu. 2018. Poisoning & Drug Overdose. McGraw-Hill.
World Health Organization (WHO). 2007. Antidotes for Poisoning by Cyanide (IPCS Evaluation Series 21). International Programme on Chemical Safety, WHO Press. ↗
Howland, Mary Ann, and Robert S. Aaron. 2002. Goldfrank's Antidotes for Pediatric Emergency Care. Lippincott Williams & Wilkins.
Centrum Zatruć Łódź. 2024. Procedury kliniczne w zatruciach ostrych — wytyczne dla ratowników. Centrum Informacji Toksykologicznej. ↗
National Institute for Occupational Safety and Health (NIOSH). 2007. Recommendations for First Aid Procedures for Chemical Exposures (NIOSH Pocket Guide to Chemical Hazards, DHHS Publication No. 2005-149). U.S. Department of Health and Human Services. ↗
United Nations Economic Commission for Europe (UNECE). 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Revision 9. United Nations. ↗
Brent, Jeffrey. 2009. Fomepizole for the Treatment of Pediatric Ethylene and Diethylene Glycol, Butoxyethanol, and Methanol Poisonings. Clinical Toxicology 48(5): 401–406.
European Society for Paediatric Gastroenterology, Hepatology and Nutrition (ESPGHAN). 2018. Caustic Ingestion in Children — Position Paper. Journal of Pediatric Gastroenterology and Nutrition 66(5): 838–845.
Agency for Toxic Substances and Disease Registry (ATSDR). 2024. Toxicological Profiles — Medical Management Guidelines. U.S. Department of Health and Human Services. ↗
IPCS INCHEM. 2024. International Programme on Chemical Safety — Poisons Information Monographs. WHO/UNEP/ILO. ↗
American National Standards Institute (ANSI). 2014. ANSI Z358.1-2014 — Emergency Eyewash and Shower Equipment. International Safety Equipment Association.
🚨 Emergency procedure — chemical spillIrritant
CAS 67-68-5GHS:H315H319H227💨 Ventilation
🥽 PPE — Personal protective equipment
Gloves:nitrile gloves (>0.4mm)
Goggles:Yes
Respirator:not required unless vapors
Suit:lab coat
Boots:closed toe shoes
📦 Small spill (<1L) — absorbent: vermiculite
1. Wietrzyć pomieszczenie (otwórz okna + wyciąg)
2. Załóż rękawice nitrylowe (>0.4mm) + okulary ochronne
3. Posyp absorbent (wermikulit/piasek) wokół rozlania
4. Zbierz od krawędzi do środka (nie rozprowadzaj!)
5. Umieść zanieczyszczony absorbent w szczelnym pojemniku PP/HDPE
6. Przemyj miejsce wodą z detergentem (3×)
7. Wytrzyj do sucha (ścierki → do pojemnika odpadów)
8. Umyj ręce nawet przez rękawice (DMSO penetruje!)
🛢️ Large spill (>1L) ⚠️ Hazardous material
1. EWAKUUJ personel niezaangażowany w oczyszczanie (>5m)
2. Wietrzyć intensywnie (>30 min)
3. Załóż pełne PPE: rękawice nitrylowe + kombinezon chemoodporny + gogle + respirator P2 (jeśli pary)
4. Otamuj rozlanie (użyj absorpcyjnych barier/poduszek)
5. Nie dopuść do kanalizacji/gleby (użyj zapór)
6. Zbierz mechanicznie (pompą próżniową do beczki UN)
7. Posyp pozostałości absorbent (wermikulit 50L/m²)
8. Zbierz łopatą/miotłą do kontenera 200L UN
9. Przemyj teren wodą (do odzysku!) 3×
10. Zgłoś incydent kierownikowi BHP + wpisz do rejestru
🩹 First aid
🧴 Skin
1. Zdejmij zanieczyszczoną odzież NATYCHMIAST
2. Przemyj skórę wodą z mydłem (15 min)
3. UWAGA: DMSO penetruje skórę i przenosi inne substancje! Jeśli na skórze były inne chemikalia → LEKARZ NATYCHMIAST
4. W razie podrażnienia → lekarz
👁️ Eyes
1. Przemyj NATYCHMIAST czystą wodą (15 min)
2. Trzymaj oczy otwarte podczas płukania
3. Usuń soczewki kontaktowe jeśli możliwe
4. ZAWSZE → OKULISTA (nawet bez objawów)
🫁 Inhalation
1. Wyprowadź poszkodowanego na świeże powietrze
2. Jeśli oddycha z trudem → tlen
3. Nie oddychało → CPR + wzywaj 112
4. Obserwuj 24h (opóźnione objawy oddechowe)
🍽️ Ingestion
1. NIE WYWOŁUJ WYMIOTÓW
2. Wypłucz usta wodą
3. Wypij szklankę wody
4. LEKARZ NATYCHMIAST + pokaż etykietę produktu
5. Centrum Zatruć: +48 42 631 47 24
🌍 Environment:
Water: Moderate; Soil: Low; ❌ Do not release into drains; Waste Code: 07 01 04*
Goldfrank, Lewis R., Neal Flomenbaum, Neal A. Lewin, Mary Ann Howland, Robert S. Hoffman, and Lewis S. Nelson. 2015. Goldfrank's Toxicologic Emergencies. McGraw-Hill Education.
10th ed. ISBN 978-0071801843.
U.S. Occupational Safety and Health Administration. 2024. 29 CFR 1910.120 — Hazardous Waste Operations and Emergency Response (HAZWOPER). U.S. Code of Federal Regulations.
[link ↗]
National Fire Protection Association. 2018. NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents. NFPA.
[link ↗]
European Parliament and Council. 2012. Directive 2012/18/EU on the Control of Major-Accident Hazards Involving Dangerous Substances (Seveso III). Official Journal of the European Union L 197: 1–37.
[link ↗]
U.S. National Institute for Occupational Safety and Health. 2024. NIOSH Pocket Guide to Chemical Hazards. Centers for Disease Control and Prevention.
[link ↗]
European Chemicals Agency. 2020. Guidance on the Compilation of Safety Data Sheets (SDS), Version 3.1. ECHA.
[link ↗]
Sources: ECHA SDS · NIOSH Pocket Guide · GESTIS · Goldfrank Toxicologic Emergencies 10th ed..
Last verified: 2026-04-26 10:00:00.
Indicative data only — in an emergency, always follow the supplier's instructions and local occupational health and safety (OHS) regulations.
⚠️ Visual PPE guide (personal protective equipment)Irritant
🧤 Gloves
Standard nitrile >0.1 mm EN 374-1 typ C
Standard protection against dermal irritation
👁️ Safety Glasses / Goggles
EN 166 D
Protection against solid particles and droplets; basic category
🥼 Lab Coat / Coverall
Standard cotton lab coat EN 13688
Standard buttoned long sleeve
💨 Ventilation
4 ACH(air changes/hour) General laboratory ventilation
4 ACH minimum for open operations; fume hood for concentrated CaCl2 dusts
📚 Scientific references (Chicago Author-Date)
European Committee for Standardization (CEN). 2016. EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks. CEN, Brussels. EN 374-1:2016. [link ↗] — Classification of chemical-resistant gloves type A/B/C; JKLPT permeation tests
European Committee for Standardization (CEN). 2001. EN 166:2001 — Personal eye-protection — Specifications. CEN, Brussels. EN 166:2001. [link ↗] — Markings: B = medium-energy impact, T = extreme temperatures, 9 = molten metals and hot solids
European Committee for Standardization (CEN). 2009. EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections. CEN, Brussels. EN 14605:2009. [link ↗] — Type 3 (jet-tight) and Type 4 (spray-tight) protection against liquid chemicals
National Institute for Occupational Safety and Health (NIOSH). 2017. Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide. U.S. Department of Health & Human Services / CDC. [link ↗] — Practical guide to CPC (chemical protective clothing) selection per substance and exposure scenario
Occupational Safety and Health Administration (OSHA). 2011. Personal Protective Equipment — General requirements. U.S. Department of Labor — 29 CFR 1910.132. 29 CFR 1910.132. [link ↗] — The employer must provide PPE + training + a documented written hazard assessment
🗄️ Storage compatibility matrix (6×6)
Toxic
Visual storage compatibility matrix — check before placing containers next to each other. Hover over a cell to see the explanation and the source rule (NFPA / OSHA / Bretherick / ECHA).
✓
Safe (SAFE)!
Caution (CAUTION)✗
Incompatible (INCOMPATIBLE)◐
Separate (SEPARATE)
National Fire Protection Association (NFPA). 2024. NFPA 30: Flammable and Combustible Liquids Code. NFPA, Quincy, MA. NFPA 30 (2024 ed.). [link ↗] — §9.4–9.7 — class-based storage segregation rules (the canonical US lab/industrial reference)
Occupational Safety and Health Administration (OSHA). 2023. 29 CFR 1910.106 — Flammable Liquids. U.S. Department of Labor, Federal Register. 29 CFR 1910.106. [link ↗] — (d)(5)(i)–(iv) — flammable storage cabinet, inside-storage room, and segregation requirements
European Chemicals Agency (ECHA). 2024. Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling. ECHA, Helsinki / Official Journal of the European Union. CLP Annex VI. [link ↗] — §2.4–2.5 — EU-level classification driving storage compatibility under REACH/CLP
♻️ Chemical waste disposal (BDO)Irritant⚠️ BDO required
📋 Full BDO list:bdo.mos.gov.pl ↗
— official register of the Ministry of Climate and Environment. Waste Transfer Card (KPO):BDO template
mandatory for every hazardous waste delivery.
📚 Scientific references (Chicago Author-Date)
European Commission. 2014. Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC. Official Journal of the European Union. Decyzja 2014/955/UE. [link ↗] — European List of Waste (LoW) — 6-digit EWC codes + asterisk for hazardous
Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów. Dziennik Ustaw RP 2020 poz. 10. [link ↗] — Polish waste catalogue — implementation of Decision 2014/955/EU
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Central register of the Polish Waste Database (BDO) — full list of companies authorised for waste management
Polska — Sejm RP. 2012. Ustawa z dnia 14 grudnia 2012 r. o odpadach. Dz.U. 2013 poz. 21 (z późn. zm.). [link ↗] — National act — defines the waste producer's obligations + registration in the Polish Waste Database (BDO)
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Laboratory waste classification + segregation procedures (Waste Management chapter); EN 374:2013 glove standards for personnel handling hazardous waste.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Per-CAS waste classification + incompatibilities — input for EWC mapping.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reactivity + storage compatibility of waste (oxidisers vs flammables — separate streams).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH per CAS — basis for the PPE required during waste transport (KPO — Waste Transfer Card).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — training + PPE for handling hazardous waste.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Waste management hierarchy (prevention → recovery → disposal); defines "hazardous waste".
European Parliament and Council. 2009. Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures. Official Journal of the European Union L 353. [link ↗] — CLP H-statement classification → mapping to EWC * (asterisk = hazardous).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — requirements for transporting hazardous waste (KPO — Waste Transfer Card + UN number + classes 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — International guidelines for neutralisation + disposal per CAS.
European Parliament and Council. 2006. Regulation (EC) No 1013/2006 on Shipments of Waste. Official Journal of the European Union L 190: 1–98. [link ↗] — Cross-border transfer of hazardous waste — notification + consent requirements before export
ℹ️ Regulatory obligations checklist for CAS 67-68-5.
Status based on: ADR 2023 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis).
✅SDS (Safety Data Sheet) availablefulfilled
How to comply: FULFILLED — safety data sheet v18 (PL) available for download on this page. Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format.
❌Compliant CLP label (pictograms + signal word + H/P)required
How to comply: The label must include: GHS pictograms, the signal word (Danger/Warning), hazard (H) and precautionary (P) statements, and manufacturer details. Required since 2010 (substances) and 2015 (mixtures).
❌Chemical OSH training (substance-specific)required
How to comply: Laboratory staff: initial training (general induction + job-specific) + refresher training every 5 years (or every 3 for engineering/technical positions). Documentation kept in personnel files.
How to comply: BDO registration is mandatory for producers of hazardous waste. A Waste Transfer Card (KPO) is required for every consignment. Annual report due by 15 March of the following year.
Legal basis: Ustawa z 14 grudnia 2012 r. o odpadach (Dz.U. 2013 poz. 21)
⚪ADR transport (international agreement)not applicable
How to comply: Under ADR 2023 the substance is not classified as dangerous goods for road transport — standard carriage. Always confirm the form/concentration against section 14 of the safety data sheet.
Legal basis: Umowa europejska ADR 2025 + Ustawa z 19 sierpnia 2011 r. o przewozie towarów niebezpiecznych
🔵REACH registration (>1 t/year EU import)conditional
How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list.
❓REACH Annex XVII (use/marketing restrictions)to be verified
How to comply: Brak wpisu w zbiorze klasyfikacji zharmonizowanej (CLP Załącznik VI) dla tego numeru CAS — status poz. 28–30 (zakaz CMR) NIEZWERYFIKOWANY; nie zakładać braku ograniczenia. Zbiór ograniczeń Załącznika XVII również niepełny — sprawdź skonsolidowany Załącznik XVII oraz klasyfikację zharmonizowaną CMR na stronach ECHA.
❓OEL — Occupational Exposure Limit in the working environmentto be verified
How to comply: No NDS data in the MOL-GOD dataset (incomplete set — ~41 of ~600 substances in the list). Absence does NOT mean there is no NDS — check the full list in Dz.U. 2024 poz. 1017 (Regulation of the Ministry of Family and Social Policy of 4 September 2024), and where none exists apply the OEL from EU directives or values recommended by NIOSH/ACGIH.
Legal basis: Rozp. MRiPS z 4 września 2024 r. (Dz.U. 2024 poz. 1017) — NDS i NDSCh
How to comply: Does not appear in the available working set of precursors (list incomplete). Absence is NOT a confirmation — verify against Annex I of Reg. (EC) 273/2004 and the GIS list before placing on the market.
Legal basis: Rozp. (WE) 273/2004 + Ustawa o przeciwdziałaniu narkomanii (Dz.U. 2005 nr 179 poz. 1485)
How to comply: FULFILLED — safety data sheet in Polish (v18) available on this page. Requirement: SDS in Polish for trade in PL (Art. 31 REACH + Chemical Substances Act Art. 17).
Legal basis: Ustawa z 25 lutego 2011 r. o substancjach chemicznych i ich mieszaninach (Dz.U. 2011 nr 63 poz. 322)
European Parliament and Council. 2008. Regulation (EC) No 1272/2008 on classification, labelling and packaging of substances and mixtures (CLP). Official Journal of the European Union L 353/1. CLP Regulation 1272/2008. [link ↗] — Classification, labelling and packaging of substances + mixtures (GHS implementation in the EU)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — registration, evaluation and authorisation of chemicals; SVHC; SDS Annex II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. [link ↗] — NDS and NDSCh for ~600 chemical substances — current Polish occupational exposure limits
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — International agreement on the road transport of dangerous goods — UN numbers, classes, packaging
📚 Consolidated scientific references — Chicago Author-Date 10 sources
References collected from all Safety Hub tabs. CAS: 67-68-5 ·
PubChem ↗
Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗]
GHS, Regulations
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗]
GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8.
Pierwsza pomoc, Toksykologia
National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗]
Pierwsza pomoc, PPE, Toksykologia
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗]
PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗]
Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗]
Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗]
Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗]
Utylizacja
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗]
Toksykologia
Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.
Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).
Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
x̄ = Σxᵢ / n — arithmetic mean
s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
s = √s² — standard deviation
RSD% = (s / x̄) × 100% — relative standard deviation
ℹ️ Single-CAS Integrity: The following solvents are analytical tools (HPLC mobile phase) — NOT the analyte. Values shown in other accordions (MW, GHS, toxicology) refer to the current molecule, not to these solvents. Exception: Single-CAS Integrity (category "solvents/buffers/analytical methods").
Phase
Solvent / CAS
Status
Action
A
Woda + 10mM bufor wodorowęglanu amonu CAS 7732-18-5
ℹ️ Single-CAS Integrity: The following solvents are analytical tools (HPLC mobile phase) — NOT the analyte. Values shown in other accordions (MW, GHS, toxicology) refer to the current molecule, not to these solvents. Exception: Single-CAS Integrity (category "solvents/buffers/analytical methods").
Phase
Solvent / CAS
Status
Action
A
Woda + 10mM bufor wodorowęglanu amonu CAS 7732-18-5
ℹ️ Single-CAS Integrity: The following solvents are analytical tools (HPLC mobile phase) — NOT the analyte. Values shown in other accordions (MW, GHS, toxicology) refer to the current molecule, not to these solvents. Exception: Single-CAS Integrity (category "solvents/buffers/analytical methods").
Phase
Solvent / CAS
Status
Action
A
Woda + 10mM bufor wodorowęglanu amonu CAS 7732-18-5
An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method
HPLCFrontiers in Pharmacology202190% ✓CC-BYResearch method (specificity, robustness)
Column: C18, 5 μm
Phase: mobile phase was composed of formic acid–water (0
Detection: MS
Flow: 1.00 mL/min
Temp.: 60.0 °C
Inj.: 25 μL
Gradient: of the drug group was set as shown in the…
Dong R, Tian Q, Shi Y, Chen S, Zhang Y, Deng Z, et al. An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method. Frontiers in Pharmacology. 2021;12:705498. doi:10.3389/fphar.2021.705498
Background: Gardenia Fructus (GF), a traditional Chinese medicine of Gardenia Ellis in Rubiaceae family, has the potential to clear heat and purge fire and has been widely used to treat multiple infection-related diseases. However, the quality markers (Q-Markers) of GF have not been revealed comprehensively.
Methods: In this experiment, the transgenic zebrafish lines, Tg (l-fabp:EGFP) and Tg (lyz:EGFP), were used to evaluate two main kinds of traditional efficacies of GF, hepatoprotective and anti-inflammatory effects. All the GF samples from different production areas were tested their anti-liver injury and anti-inflammantory activities. High-performance liquid chromatography-quadrupole time-of-flight mass spectrometry method (HPLC-Q-TOF/MS) was employed for herbal metabonomic analysis of GF samples. Gray correlation analysis (GCA) was utilized to screen out the components closely associated with the activities. Finally, the zebrafish model was applied to verify the bioactivity of the crucial components to determine the Q-Markers of GF.
Results: The zebrafish models were established by inducing with hydrogen peroxide or copper sulfate and applied to quickly evaluate the hepatoprotective effect and inflammation of GF samples. 27 potentially active components for liver protection and 21 potentially active components with anti-inflammatory properties were identified by herbal metabolomic analysis based on HPLC-Q-TOF/MS. The GCA result showed that five of the 27 components were highly correlated with liver protection, 15 of the 21 components were highly correlated with anti-inflammatory activity. Among them, geniposide and crocin-1 were confirmed their bioactivities on zebrafish experiment to be responsible for the protective effects of GF against liver injury, and genipin-1-β-D-gentiobioside, quinic acid, gardenoside, d-glucuronic acid, l-malic acid, mannitol, rutin, and chlorogenic acid were confirmed to be responsible for the anti-inflammatory effects. Finally, acco...
Comparison of Quantification Using UV-Vis, NMR, and HPLC Methods of Retinol-Like Bakuchiol Present in Cosmetic Products
HPLC-DADInternational Journal of Molecular Sciences202590% ✓CC-BYResearch method (specificity, robustness)
Column: C18, 5 μm
Phase: mobile phase consists of 1% formic acid and acetonitrile, 35/65 (v/v)
Detection: UV 300 nm
Flow: 1.00 mL/min
Temp.: 35.0 °C
Inj.: 20 μL
Gradient: pump, a diode-array detector, an autosampler with a thermostat, and…
Grzelecka M, Siudem P, Tyburc N, Triyasmono L, Holzgrabe U, Paradowska K. Comparison of Quantification Using UV-Vis, NMR, and HPLC Methods of Retinol-Like Bakuchiol Present in Cosmetic Products. International Journal of Molecular Sciences. 2025;26:6638. doi:10.3390/ijms26146638
Retinoids are used in cosmetics as anti-aging ingredients, along with other substances. However, due to limitations in use (such as photodegradation), it seems necessary to look for retinoid alternatives to be applied in cosmetic products. Bakuchiol, a natural alternative of retinoids, isolated from Psolarea corylifolia, is one such compound. It has great cosmetic potential and its mechanism of action is not yet fully explored. From the point of view of the bioactive compound, it is also essential to develop a method for rapid quality control of cosmetic preparations containing bakuchiol. The aim of this study was to apply and compare methods for the quantification of bakuchiol in cosmetic products using UV-Vis, 1H qNMR, and HPLC. The results show the possibility of using the 1H NMR method in the routine quality control of cosmetics with bakuchiol because of its comparable results with HPLC analysis and significantly shorter analysis time.
cosmeticsbakuchiolH qNMRHPLCUV-Vis
📄
Identification of the Antidepressant Function of the Edible Mushroom Pleurotus eryngii
HPLCJournal of Fungi202193% ✓CC-BYResearch method (specificity, robustness)
Column: C18, 10 x 250 mm, 5 μm
Phase: mobile phase was methanol:water (50:50)
Detection: UV 550 nm
Flow: 1.00 mL/min
Temp.: 60.0 °C
Inj.: 5 μL
Gradient: procedure as the analytical column
Park Y, Jang S, Lee H, Kang S, Seo H, Yeon S, et al. Identification of the Antidepressant Function of the Edible Mushroom Pleurotus eryngii. Journal of Fungi. 2021;7:190. doi:10.3390/jof7030190
Pleurotus eryngii produces various functional molecules that mediate physiological functions in humans. Recently, we observed that P. eryngii produces molecules that have antidepressant functions. An ethanol extract of the fruiting body of P. eryngii was obtained, and the extract was purified by XAD-16 resin using an open column system. The ethanol eluate was separated by HPLC, and the fraction with an antidepressant function was identified. Using LC-MS, the molecular structure of the HPLC fraction with antidepressant function was identified as that of tryptamine, a functional molecule that is a tryptophan derivative. The antidepressant effect was identified from the ethanol extract, XAD-16 column eluate, and HPLC fraction by a serotonin receptor binding assay and a cell-based binding assay. Furthermore, a forced swimming test (FST) showed that the mice treated with purified fractions of P. eryngii exhibited decreased immobility time compared with nontreated mice. From these results, we suggest that the extract of P. eryngii has an antidepressant function and that it may be employed as an antidepressant health supplement.
International Conference on Harmonisation (ICH). 2005. Validation of Analytical Procedures: Text and Methodology Q2(R1). ICH Expert Working Group. [link ↗] — Gold-standard ICH guideline — accepted by EMA, FDA, MHLW, NMPA
United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Industry standard textbook — Chapter 11 covers method validation
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Classic method-development reference (DryLab heritage).
Rozet, Eric, et al.. 2013. Analysis of recent pharmaceutical regulatory documents on analytical method validation. https://doi.org/10.1016/j.chroma.2007.03.111 [link ↗] — Comparison of FDA / EMA / ICH validation expectations — used for ICH Q2(R1) interpretation.
Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — Plackett-Burman design for robustness — basis of ICH Q2 §3.7.
Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Modern (UHPLC) update of validation chapter — practical RSD/LOD examples.
Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. HPLC for Pharmaceutical Scientists. Wiley-Interscience. ISBN 978-0-471-68162-4. https://doi.org/10.1002/9780470087954 [link ↗] — Pharma-focused validation case studies (specificity, robustness).
European Medicines Agency (EMA). 2011. Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009. EMA Committee for Medicinal Products for Human Use. [link ↗] — EMA bioanalytical companion to ICH Q2(R1) for clinical samples.
🔧 HPLC troubleshooting — decision tree6 common problems
Diagnostics for the 12 most common HPLC problems with a decision tree (5 steps per problem). Source: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.
Broad peaks medium
Symptom: All peaks on the chromatogram are wider than expected (FWHM > 2× normal)
🔍 Diagnostic tree:
1. Check whether all peaks are broadened or only some → YES: All → instrumental problem (column or system) → NO: Only some → chemistry problem (interaction with the column for specific analytes)
2. Swap in a test column — does the problem disappear? → YES: COLUMN worn out — packing damaged, void in the first few mm. Replace it. → NO: Problem in the LC system
3. Check the dead volume — injection loop, connections, detector → YES: Loop > 100 µL for a 4.6 mm column or loose connections → replace ferrules, shorten tubing → NO: Continue diagnostics
4. Temperature test: raise the column from 25°C to 40°C → YES: Narrower peaks → mass-transfer kinetics too slow (increase T) → NO: Continue
5. Check flow rate vs the optimal van Deemter value for this column → YES: Optimum for 4.6mm/5µm = 1.0 mL/min, for 2.1mm/3µm = 0.4 mL/min → NO: Continue
⚠️ Common causes:
Column worn out (>2000 injections without a guard)
System dead volume > 100 µL (wrong loop, long tubing, loose ferrules)
Temperature too low (mass-transfer kinetics)
Flow rate outside the van Deemter optimum
Sample solvent stronger than mobile phase A
✓ Fixes:
✓ Replace the column (when >2000 injections)
✓ Check all connections — keep tubing as short as possible
✓ Increase column T to 40°C (if the substance is stable)
✓ Reduce flow to the van Deemter optimum
✓ Dissolve the sample in mobile phase A (not in pure organic)
Peak tailing (T > 1.5) high
Symptom: Peaks have an extended "tail" on the late-elution side (asymmetry T = b/a > 1.5 per USP)
🔍 Diagnostic tree:
1. Does the substance contain basic groups (amino, pyridine)? → YES: Yes → silanol interactions! Add 0.1% TFA or 5-10 mM TEA to mobile phase A. → NO: Continue
2. Check the mobile-phase pH vs the substance pKa → YES: pH = pKa ± 1 → partial ionization, peak split. Move pH ≥ 2 units away from pKa. → NO: Continue
3. Check the column age (>1500 injections?) → YES: Yes → exposed silanols (column bleed). Replace with a column with higher endcapping (XTerra, Symmetry). → NO: Continue
4. Does the sample contain metals (Fe, Cu from glass vials)? → YES: Yes → use type II clear vials or PFA. Add 0.1mM EDTA to the sample. → NO: Continue
⚠️ Common causes:
Silanol interactions (basic analyte + silica gel free silanols)
pH at the boundary of the analyte pKa (peak split)
Old column (column bleed, high silanol activity)
Metals in the sample (chelation → tailing)
Column overload (>50 µg on a 4.6mm column)
✓ Fixes:
✓ Add 0.1% TFA (UV) or 0.1% formic acid (LC-MS) to mobile phase A
✓ Choose a column with high-purity endcapping: Waters XBridge BEH, Phenomenex Kinetex
✓ Work at pH ≥ 2 units away from pKa
✓ Add 0.1mM EDTA to the sample (Fe/Cu chelation)
✓ Reduce the injection volume to ≤ 20 µL for a 4.6mm column
Baseline drift medium
Symptom: The baseline rises or falls systematically for >5 minutes
🔍 Diagnostic tree:
1. Are you running a gradient (B% increasing)? → YES: Yes → different absorption of phases A vs B at dλ. Solvent change in UV cutoff. Check the % organic UV absorbance. → NO: Continue (isocratic)
2. Check the column temperature — is it stable to ±0.5°C? → YES: Yes (stable) → continue → NO: Unstable → turn on the column thermostat (>25°C controlled)
3. Test: turn off the autosampler, run pump+column+detector alone → YES: Drift disappears → autosampler contamination (clean the needle, septum) → NO: Continue
4. Check the lamp age (D2 for UV) → YES: Yes (>1500 hours) → replace the lamp → NO: Continue
⚠️ Common causes:
Gradient elution with different UV cutoff of the phases
Unstable column T
Autosampler contamination of the needle/septum
Old UV lamp (>1500h)
Detector flow cell fouled
Column not equilibrated (<10 column volumes)
✓ Fixes:
✓ Pre-equilibrate the column for 10-15 column volumes at 100% A
✓ Column thermostat on, T 30-40°C stable
✓ Clean the detector flow cell with 50:50 ACN:H2O
✓ Replace the D2 lamp if >1500h
✓ Use baseline subtraction (Chromeleon, Empower native function)
No peak / lost peak critical
Symptom: The expected analyte peak does not appear on the chromatogram
🔍 Diagnostic tree:
1. Did the injection actually take place? → YES: Check the autosampler log, pump pressure (should drop during injection) → NO: Autosampler problem → check the loop, needle, sample in the vial
2. Is the sample in the vial (correct volume, not evaporated)? → YES: Continue → NO: No sample — re-pipette
4. Check the detection wavelength vs the substance λmax → YES: Detection at λ does NOT match λmax → no signal. Scan DAD 200-400nm. → NO: Continue
5. Test: inject a pure standard (of known concentration, fresh) → YES: The standard gives a peak → problem with the sample (matrix, derivatization) → NO: No peak even with the standard → system problem (column, phase, gradient)
⚠️ Common causes:
Sample not drawn from the vial (autosampler bug)
Sample degraded (>24h pH/temp/light)
Detection at the wrong wavelength
Wrong mobile phase (e.g. forgotten TFA)
Column reversed / wrong stationary phase
Substance elutes at the front (V0) → unretained, not visible
✓ Fixes:
✓ Re-prepare a fresh sample per the exact protocol
✓ UV-Vis DAD scan 200-400nm + search for λmax
✓ Check the mobile-phase composition — was TFA added?
✓ Test the reverse column direction (carefully!)
✓ For retention <1 min — lower the % B, MeOH instead of ACN
✓ Check the "expected_rt" table in wp_molgod_hplc_methods
Pressure too high critical
Symptom: Pump pressure > 80% of the column max or system shutdown with a high-pressure error
🔍 Diagnostic tree:
1. Check that the column is connected correctly (arrow direction) → YES: OK → NO: Column reversed → flip it (never run it "backwards")
2. Test: remove the column from the system, run pump+detector alone → YES: Pressure drops to <50 bar → problem in the column (clogged) → NO: Pressure stays high → in-line filter clogged, frit fouled
3. Check the pre-column filter (in-line frit) → YES: Fouled and brown → replace it → NO: Continue
4. Back-flush the column with 50:50 ACN:H2O without the column — does it disappear? → YES: Particles stuck in the first mm — a 30 min flush may recover it → NO: Replace the column
⚠️ Common causes:
In-line filter (frit) clogged with particles
Buffer salting out (precipitation at high %B)
Sample contains suspended matter (filter 0.22 µm before injection)
Column clogged (column bed compaction)
Gradient with a buffer phase + high organic → salt precipitation
✓ Fixes:
✓ ALWAYS filter the sample through 0.22 µm PVDF before injection
✓ Replace the in-line filter every 100 injections (or when pressure rises >20%)
✓ Do NOT use >20mM phosphate buffer + >70% ACN (the salt precipitates)
✓ Flush the column for 30 min with 50:50 ACN:H2O in the reverse direction (when the manufacturer allows it)
✓ Pre-column 4×3mm to protect the main column
Ghost peaks high
Symptom: Unexplained peaks on the chromatogram absent from the calibration
🔍 Diagnostic tree:
1. Test: blank injection (pure sample solvent) → YES: A ghost appears → contamination of the system or eluents → NO: Appears only with the sample → matrix
2. Does the ghost grow with the gradient (elutes at high %B)? → YES: Yes → overloaded column or strong-retained from a previous run → NO: Independent of the gradient → autosampler carryover
3. Increase carryover wash (between injections) → YES: Helps → carryover was to blame. Use a stronger wash protocol. → NO: Continue
4. Pure water injection — is there a peak? → YES: Yes → contamination of the water source (organics from the DI system) → NO: Continue
⚠️ Common causes:
Carryover in the autosampler needle/loop
Eluent contamination (even HPLC-grade)
Strong-retained components from previous runs
Plastic in the vials (phthalates, PEG from the caps)
Insufficiently purified DI water
✓ Fixes:
✓ Strengthen the wash protocol: 100% B → 100% A → 50:50 (3 cycles)
✓ Strong wash: 100% DMSO or 100% MeOH before calibration
✓ Filter the eluents through 0.22 µm PTFE if in doubt
✓ Use amber glass + Teflon-lined caps for samples
✓ Periodic gradient ramp to 100% B for 10 min (clean-out)
📚 Scientific references (Chicago Author-Date) — click to expand
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. Chapter 17 (Troubleshooting) pp. 559-616. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗]
Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
Kromidas, Stavros. 2017. HPLC Made to Measure: A Practical Handbook for Optimization. 2nd ed. Wiley-VCH. ISBN 978-3-527-31377-1. — Praktyczny przewodnik problem-solving dla labs analitycznych
Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Chapter 9 covers troubleshooting modern UHPLC systems (sub-2 µm particles).
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Method-development companion volume with troubleshooting cross-refs.
Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗] — Theoretical basis for diagnosing efficiency losses (mass-transfer, eddy diffusion).
Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. 2120-2129. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — How to diagnose method failures vs. system failures (Plackett-Burman).
Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5. — Historical context for ghost-peak phenomenology (silica chemistry).
Stoll, Dwight R., and Peter W. Carr. 2017. Two-Dimensional Liquid Chromatography: A State of the Art Tutorial. 519-531. https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
Wu, Naijun, and Anton M. Clausen. 2007. Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations. 1167-1182. https://doi.org/10.1002/jssc.200700026 [link ↗]
Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. Probabilistic approach to peak deconvolution in chromatography. 8525-8531. https://doi.org/10.1021/ac101742z [link ↗]
🧪 Solubility and solvent compatibility MolGod_SOLUB_1
Molecule
Dimethyl Sulfoxide
Formula
C2H6OS
logP
-0.60
Mass (g/mol)
78.14
Polarity
Hydrophilic (polar)
⚠️ HSP estimate (literature / group contribution). Indicative data — does not replace experimental studies.
Solubility theory (applied in compatibility prediction):
Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
PubChem Compound Database — CAS 67-68-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.
Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.
🧮 Solubility calculator
Solubility:—
logS:—
Method:—
⚠️ —
Solubility vs temperature
🌐 Hansen Solubility Sphere (3D)
The closer to the molecule (red sphere), the better the solvent. · Advanced: labels + grid + axes + pulsation.
Your molecule
Good (Ra < 5)
Medium (Ra 5-10)
Weak (Ra > 10)
📚 HSP + Ra data sources
Palasingh C; Janewithayapun R; Cavalcanti LP; Abik F; Mikkonen KS; Cousin F. 2026. "Aggregation of Modified Glucuronoxylan in Water and DMSO." Biopolymers. https://doi.org/10.1002/bip.70091. [DOI ↗]
Huang CJ; Chiu L; Chuang HJ; Wu SM. 2026. "Transgenerational effects of maternal exposure to diethyl phthalate (DEP) and dimethyl sulfoxide (DMSO) in zebrafish (Danio rerio)." Aquatic toxicology (Amsterdam, Netherlands). https://doi.org/10.1016/j.aquatox.2026.107787. [DOI ↗]
Ismail OA; Stape THS; Shaalan O; Taymour N; Basha IE; Alsamoully WMA. 2026. "Clinical evaluation of composite restorations placed on dimethyl sulfoxide-treated cervical carious lesions: a 36-month randomized double-blind controlled trial." Journal of dentistry. https://doi.org/10.1016/j.jdent.2026.106587. [tło tematyczne — CAS niezweryfikowany w tej publikacji] [DOI ↗]
Klbik I; Melicherčík M; Račko D; Maťko I; Lakota J; Šauša O. 2026. "Reassessing DMSO-lipid interactions: Improved AMBER force fields emphasize solvent rather than bilayer effects in cryoprotection." Biochimica et biophysica acta. Biomembranes. https://doi.org/10.1016/j.bbamem.2025.184481. [DOI ↗]
Befekadu R; Bosnjak N; Uhlin M; Wikman A; Sandgren P. 2025. "Innovations in Platelet Cryopreservation: Evaluation of DMSO-Free Controlled-Rate Freezing and the Role of a Deep Eutectic Solvent as an Additional Cryoprotective Agent." International journal of molecular sciences. https://doi.org/10.3390/ijms262010013. [DOI ↗]
Chen C; Chong J; Bertoft E; Zhu F. 2025. "Chemical gelatinization of pea and chickpea starch granules in dimethyl sulfoxide: Structural and physicochemical analysis." Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2025.124293. [DOI ↗]
Ghonyan S; Poghosyan D; Martirosyan A; Margaryan S; Avetisyan A; Khachatryan Z. 2025. "Unraveling the functional landscape of ATRA- and DMSO-differentiated HL-60 cells." PloS one. https://doi.org/10.1371/journal.pone.0331783. [DOI ↗]
Kolić D; Gerlits O; Kucharski M; Gorecki L; Joiner N; Kovalevsky A. 2025. "Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE." Chemico-biological interactions. https://doi.org/10.1016/j.cbi.2025.111649. [DOI ↗]
Method: Group Contribution (GC) — rapid δD/δP/δH estimation from logP when experimental data are unavailable. Accuracy ±2 MPa^½. For higher precision → HSPiP software.
❓ Jak przygotować roztwór standardowy DMSO o stężeniu 0.1 M?
Aby przygotować roztwór standardowy DMSO o stężeniu 0.1 M, należy obliczyć masę potrzebnej substancji. Masa molowa DMSO wynosi 78.14 g/mol. Dla 1 litra roztworu (1000 ml) o stężeniu 0.1 M, potrzebna masa DMSO to: 0.1 mol/l * 78.14 g/mol = 7.814 g. Następnie należy odważyć 7.814 g DMSO i rozpuścić w około 900 ml wody destylowanej, a następnie uzupełnić do 1 litra wodą destylowaną.
Helpful?
❓ Jak przechowywać DMSO, aby zachować jego stabilność?
DMSO należy przechowywać w temperaturze pokojowej (15-25°C), z dala od bezpośredniego światła słonecznego i źródeł ciepła. Wilgotność powietrza nie powinna być zbyt wysoka, ponieważ DMSO jest higroskopijny. Zaleca się przechowywanie w szczelnie zamkniętym pojemniku z ciemnego szkła lub tworzywa sztucznego odpornego na rozpuszczalniki organiczne.
Helpful?
❓ Jaka metoda analityczna jest najbardziej odpowiednia do analizy czystego DMSO?
Najbardziej odpowiednią metodą analityczną do analizy czystego DMSO jest chromatografia gazowa (GC) ze względu na jego niską masę molową (78.14 g/mol) i lotność. Alternatywnie, można zastosować wysokosprawną chromatografię cieczową (HPLC), jeśli wymagana jest wyższa rozdzielczość lub analiza w warunkach niskiej temperatury.
Helpful?
❓ Jakie są potencjalne reaktywności i niezgodności chemiczne DMSO?
DMSO jest silnym rozpuszczalnikiem aprotycznym i może reagować z niektórymi metalami, tworząc kompleksy. Może również reagować z silnymi utleniaczami. Nie należy go mieszać z reduktorami organicznymi ani stosować w obecności substancji wrażliwych na utlenianie. DMSO może powodować korozję niektórych metali, takich jak aluminium.
Helpful?
❓ W jakich praktycznych zastosowaniach laboratoryjnych wykorzystuje się DMSO?
DMSO jest powszechnie stosowany jako rozpuszczalnik w syntezie organicznej, do ekstrakcji substancji czynnych z roślin, jako środek konserwujący próbki biologiczne oraz jako nośnik w dostarczaniu leków. Jest również używany w spektroskopii NMR jako rozpuszczalnik deuterowany (DMSO-d6).
Dimethyl sulfoxide: history, chemistry, and clinical utility in dermatology
Capriotti, K.; Capriotti, J.A. (2007) · Journal of Clinical and Aesthetic Dermatology
Why it matters:
Must-cite (canon) · 190 citations
SCORE 7.64PharmacologyMUST-CITECitations: 190
🎯 Related research topics (TF-IDF)10 tags
📊 Automatically extracted topics from the abstracts of 3 publications for CAS 67-68-5.
Algorithm: TF-IDF (Salton & Buckley 1988) — term frequency × inverse document frequency.
Profesjonalny produkt chemiczny dostępny w naszym sklepie. Gwarantujemy wysoką jakość i szybką wysyłkę w ciągu 24 godzin.
Zastosowania
Produkt przeznaczony do zastosowań technicznych, laboratoryjnych lub przemysłowych. Przed użyciem zapoznaj się z kartą charakterystyki.
⚠ UWAGA — ODCZYNNIK CHEMICZNY
DMSO Dimetylosulfotlenek (C2H6OS) powszechnie znana jako DMSO to odczynnik chemiczny przeznaczony wyłącznie do zastosowań laboratoryjnych, badawczych i profesjonalnych. Numer CAS: 67-68-5 Numer WE (EC): 200-664-3 Nazwa IUPAC:dimetylosulfotlenek
NIE NADAJE SIĘ DO SPOŻYCIA przez ludzi ani zwierzęta. Produkt nie jest lekiem, suplementem diety, kosmetykiem ani środkiem spożywczym. Jakiekolwiek inne zastosowanie niż laboratoryjne lub przemysłowe jest niezgodne z przeznaczeniem produktu.
Wymagane środki ochrony osobistej: rękawice ochronne, okulary lub gogle, fartuch laboratoryjny, praca w dobrze wentylowanym pomieszczeniu lub pod wyciągiem chemicznym.
Przed użyciem zapoznaj się z kartą charakterystyki substancji (SDS/MSDS) zgodnie z rozporządzeniem REACH (WE) 1907/2006 oraz CLP (WE) 1272/2008. Sprzedaż wyłącznie do celów technicznych.
Najczęstsze pytania
Jak przechowywać ten produkt?
Przechowywać w oryginalnym opakowaniu, w suchym i chłodnym miejscu (15-25°C). Chronić przed bezpośrednim działaniem promieni słonecznych i wilgocią.
Czy nadaje się do analiz ilościowych?
Tak, odczynniki klasy analitycznej (czda, p.a.) spełniają wymagania dla analiz ilościowych wg norm PN-EN i ISO.
Czy mogę zwrócić produkt?
Tak, oferujemy prawo zwrotu. Produkt musi być w oryginalnym, nienaruszonym opakowaniu.
Jaki jest termin ważności?
Termin ważności podany na etykiecie. Przy prawidłowym przechowywaniu produkt zachowuje pełne właściwości przez cały okres deklarowanej trwałości.
Jaka jest czystość tego odczynnika?
Czystość określona na etykiecie produktu. Dostępne w klasach: techniczny, czysty, czysty do analizy (czda/p.a.). Certyfikat analizy na życzenie.
Jak szybko otrzymam przesyłkę?
Zamówienia realizujemy w ciągu 1-2 dni roboczych od zaksięgowania płatności.
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Gradient based on PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).
Column: C18
Buffer: phosphate
Flow: 1 mL/min
logP:
-0.6(PubChem XLogP3)
Ramp: 5% → 95% B, 10 min
Total analysis time: 23 min
t (min)
%A
%B
flow (mL/min)
Comment
0
95
5
1
start (equilibrium)
2
95
5
1
end of initial hold
12
5
95
1
end of LSS ramp
17
5
95
1
column wash
18
95
5
1
return to init
23
95
5
1
re-equilibration
📚 Scientific references (Chicago Author-Date)
Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. [DOI ↗]
REST: /wp-json/molgod/v1/hplc/gradient/67-68-5
🌈 Detector + wavelength (UV/Vis)215 nm
Compound
Dimethyl sulfoxide (DMSO)
λmax
215 nm
λmin
200 nm
εmax (M⁻¹·cm⁻¹)
6,700
Solvent (reference)
water
Suggested λ
215 nm
Recommended detector
UV
Alternatives
PDA/DAD, MS, FLD
Data source: Pavia 2014, ch. 5 (n-to-pi* of S=O chromophore)
⚠ Mobile phase compatibility
warning
λ=215 nm near cutoff Ethanol (210 nm) — possible baseline noise and drift; use higher-purity reagents.
warning
λ=215 nm near cutoff 0.1% TFA in water (210 nm) — possible baseline noise and drift; use higher-purity reagents.
advisory
Operation below 220 nm requires: HPLC-grade solvents, mobile phase degassing, a clean buffer (avoid TFA/acetate), and a deuterium lamp in good condition.
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. "Principles of Instrumental Analysis." 7th ed. Cengage Learning. ISBN 978-1-305-57721-3.
Perkampus, Heinz-Helmut. 1992. "UV-VIS Spectroscopy and Its Applications." Springer. ISBN 978-3-642-77479-9. →
Sadek, Paul C.. 2002. "The HPLC Solvent Guide." 2nd ed. Wiley-Interscience. ISBN 978-0-471-41138-4.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. ISBN 978-0-470-16754-0. →
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. →
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →
Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. ISBN 978-0-471-68162-4. →
Kim, Sunghwan, et al.. 2023. "PubChem 2023 update." Nucleic Acids Research 51: D1373-D1380 →
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 →
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 →
Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →
REST: /wp-json/molgod/v1/hplc/detector/67-68-5
📐 HPLC peak symmetry calculator (USP Tf / As)
Calculate the USP tailing factor (Tf) and asymmetry (As) from the peak half-widths. Enter a (left half-width) and b (right half-width) measured at 5% or 10% of peak height.
📚 References (Chicago Author-Date)
USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
📊 Resolution and plate count calculator (Rs, N, H)
Calculate the resolution Rs, the number of theoretical plates N and HETP (H) for a pair of HPLC peaks. Enter the retention times, peak widths (at 50% or at the base) and the column length.
📚 References (Chicago Author-Date)
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289 https://doi.org/10.1016/0009-2509(56)80003-1 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364 https://doi.org/10.1093/chromsci/15.9.352 [link ↗]
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
🧪 System Suitability — live calculator (USP <621>)
Enter data from 5–6 injections (areas, tR, tailing, plates) — the calculator computes %RSD and means and checks compliance with USP <621>. You can paste CSV (comma-separated) or edit individual values.
📚 References (Chicago Author-Date)
USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."
Model: Gaussian curve centered at λmax, scaled with the Beer-Lambert law A = ε · c · l. Transmittance T = 10^(-A) · 100%.
📚 Scientific references (Chicago Author-Date)
Palasingh C; Janewithayapun R; Cavalcanti LP; Abik F; Mikkonen KS; Cousin F. 2026. "Aggregation of Modified Glucuronoxylan in Water and DMSO." Biopolymers. https://doi.org/10.1002/bip.70091. [DOI]
Huang CJ; Chiu L; Chuang HJ; Wu SM. 2026. "Transgenerational effects of maternal exposure to diethyl phthalate (DEP) and dimethyl sulfoxide (DMSO) in zebrafish (Danio rerio)." Aquatic toxicology (Amsterdam, Netherlands). https://doi.org/10.1016/j.aquatox.2026.107787. [DOI]
Ismail OA; Stape THS; Shaalan O; Taymour N; Basha IE; Alsamoully WMA. 2026. "Clinical evaluation of composite restorations placed on dimethyl sulfoxide-treated cervical carious lesions: a 36-month randomized double-blind controlled trial." Journal of dentistry. https://doi.org/10.1016/j.jdent.2026.106587. [tło tematyczne — CAS niezweryfikowany w tej publikacji] [DOI]
Klbik I; Melicherčík M; Račko D; Maťko I; Lakota J; Šauša O. 2026. "Reassessing DMSO-lipid interactions: Improved AMBER force fields emphasize solvent rather than bilayer effects in cryoprotection." Biochimica et biophysica acta. Biomembranes. https://doi.org/10.1016/j.bbamem.2025.184481. [DOI]
Befekadu R; Bosnjak N; Uhlin M; Wikman A; Sandgren P. 2025. "Innovations in Platelet Cryopreservation: Evaluation of DMSO-Free Controlled-Rate Freezing and the Role of a Deep Eutectic Solvent as an Additional Cryoprotective Agent." International journal of molecular sciences. https://doi.org/10.3390/ijms262010013. [DOI]
Chen C; Chong J; Bertoft E; Zhu F. 2025. "Chemical gelatinization of pea and chickpea starch granules in dimethyl sulfoxide: Structural and physicochemical analysis." Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2025.124293. [DOI]
Ghonyan S; Poghosyan D; Martirosyan A; Margaryan S; Avetisyan A; Khachatryan Z. 2025. "Unraveling the functional landscape of ATRA- and DMSO-differentiated HL-60 cells." PloS one. https://doi.org/10.1371/journal.pone.0331783. [DOI]
Kolić D; Gerlits O; Kucharski M; Gorecki L; Joiner N; Kovalevsky A. 2025. "Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE." Chemico-biological interactions. https://doi.org/10.1016/j.cbi.2025.111649. [DOI]
Liu H; Wang A; Chen X; Hou S; Li A. 2025. "Overestimated cytotoxicity and underestimated whitening efficacy of glabridin: A result of its poor solubility in DMSO." PloS one. https://doi.org/10.1371/journal.pone.0325247. [DOI]
Linstrom, Peter J., and William G. Mallard, eds. 2023. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. [DOI]
Mayerhöfer, Thomas G., Samir Pahlow, and Jürgen Popp. 2020. "The Bouguer-Beer-Lambert Law: Shining Light on the Obscure." ChemPhysChem 21 (18): 2029-2046. [DOI]
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning. ISBN 978-1-305-57721-3.
Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. ISBN 978-0-12-803224-4.
Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. ISBN 978-0-495-88992-9.
Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
Fieser, Louis F. 1949. "Extension of Woodward's Rules for Prediction of Conjugated Diene Absorption." Journal of the American Chemical Society 71 (5): 1854-1857. [DOI]
Woodward, Robert B. 1942. "Structure and the Absorption Spectra of Alpha,Beta-Unsaturated Ketones." Journal of the American Chemical Society 64 (1): 72-75. [DOI]
Beer, August. 1852. "Bestimmung der Absorption des rothen Lichts in farbigen Flüssigkeiten." Annalen der Physik und Chemie 86: 78-88. https://doi.org/10.1002/andp.18521620505.
Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.
📖 Wartość λmax = 215 nm pochodzi z bazy/literatury. Brak niezależnego potwierdzenia krzyżowego (NIST / CrossRef / PubChem) — weryfikacja krzyżowa niedostępna.
☣️ Toxicity (LD50 / LC50) Not classifiedMolGod_LD50_1
LD50
14500 mg/kg
Gatunek / droga
Rat / doustnie
Klasyfikacja
Practically nontoxic
Skala GHS (Acute Toxicity, oral, mg/kg bw):
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)
Source: Bartsch et al. 1976, Arch. Toxicol.; Gaylord Chemical SDS (1976). CAS 67-68-5.
LD50/LC50 data are for guidance only; they do not replace the safety data sheet (SDS) or expert toxicological assessment. GHS classification for the oral route (mg/kg bw) per UN GHS, 10th rev. 2023, Annex 1 §3.1.1.
Bibliography (Chicago)
Hodge, Harold C., and James H. Sterner. 1949. "Tabulation of toxicity classes." American Industrial Hygiene Association Quarterly 10 (4): 93-96.
U.S. EPA. 2024. "ChemView." https://chemview.epa.gov/.
United Nations. 2023. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS)." 10th rev. ed. New York: UN.
Lipnick, Robert L., et al. 1995. "Comparison of the up-and-down, conventional LD50, and fixed-dose acute toxicity procedures." Food and Chemical Toxicology 33 (3): 223-231.
ATSDR. 2024. "Toxicological Profiles." Agency for Toxic Substances and Disease Registry. https://www.atsdr.cdc.gov/.
Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press.
Lewis, Richard J. 2012. "Sax's Dangerous Properties of Industrial Materials." 12th ed. Wiley.
IARC. 2024. "Monographs on the Evaluation of Carcinogenic Risks to Humans." International Agency for Research on Cancer (per kryteria klasyfikacji rakotwórczości IARC Group 1/2A/2B).
Pohanish, Richard P. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." 7th ed. Elsevier.
Bingham, Eula, Barbara Cohrssen, and Charles H. Powell, eds. 2012. "Patty's Toxicology." 6th ed. Wiley.
WHO. 2023. "Recommended Classification of Pesticides by Hazard." World Health Organization (zgodne z UN GHS Annex 1 §3.1.1).
⚠️ Interakcje lekowe (1)MolGod_DRUGINT_1
Znane interakcje farmakokinetyczne i farmakodynamiczne dla CAS 67-68-5 wg konsensusowych źródeł klinicznych. Niniejsze informacje są edukacyjne — nie zastępują konsultacji lekarskiej.
Mechanizm: DMSO zwiększa przepuszczalność błon biologicznych i może nasilać układową absorpcję heparyny stosowanej miejscowo. Dodatkowo DMSO wykazuje słabe działanie antyagregacyjne (hamowanie OH• i fibryny).
Skutek kliniczny: Możliwe nasilenie efektu antykoagulacyjnego i ryzyka krwawienia, zwłaszcza przy aplikacji przezskórnej DMSO + heparyna.
Postępowanie: Unikać łączenia w aplikacjach skórnych. Monitorować APTT/anty-Xa przy heparynie systemowej i ekspozycji zawodowej na DMSO.
Źródło: Stockley 2021
Bibliography (Chicago)
Hansten, Philip D., and John R. Horn. 2024. "The Top 100 Drug Interactions: A Guide to Patient Management." H&H Publications.
Stockley, Ivan H., ed. 2021. "Stockley's Drug Interactions." 12th ed. Pharmaceutical Press.
Indiana University. 2024. "P450 Drug Interaction Table." https://drug-interactions.medicine.iu.edu/.
Lexicomp. 2024. "Lexicomp Drug Interactions Database." Wolters Kluwer.
U.S. FDA. 2023. "Drug Development and Drug Interactions Table of Substrates, Inhibitors and Inducers." https://www.fda.gov/drugs/drug-interactions-labeling/drug-development-and-drug-interactions-table-substrates-inhibitors-and-inducers.
Goldfrank, Lewis R., et al. 2019. "Goldfrank's Toxicologic Emergencies." 11th ed. McGraw-Hill (rozdz. Drug Interactions — synergie + antagonizmy w zatruciach mieszanych).
Olson, Kent R., et al. 2018. "Poisoning & Drug Overdose." 7th ed. McGraw-Hill (kliniczne management interakcji w przedawkowaniu).
Dollery, Colin, ed. 1999. "Therapeutic Drugs." 2nd ed. Churchill Livingstone (monografia źródłowa o interakcjach lek-lek na poziomie farmakokinetyki).
Rosenstock, Linda, et al. 2005. "Textbook of Clinical Occupational and Environmental Medicine." 2nd ed. Elsevier Saunders (occupational + drug exposure interakcje).
Lippmann, Morton. 2009. "Environmental Toxicants: Human Exposures and Their Health Effects." 3rd ed. Wiley (modulacja CYP3A4/CYP2D6 przez ekspozycje środowiskowe).
Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press (in vitro screening DDI: rola P-gp, BCRP).
Conditions: 60-80 C atmospheric pressure; NO/NO2 redox cycle; vacuum distillation
Yield: 92.0 %
Gaylord Chemical Company. 2014. "DMSO Reaction Solvent: Technical Bulletin 102." Slidell, LA: Gaylord Chemical. Accessed via https://www.gaylordchemical.com/literature/.
General bibliography (Chicago):
March, Jerry, and Michael B. Smith. 2020. "March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure." 8th ed. Wiley.
Carey, Francis A., and Richard J. Sundberg. 2007. "Advanced Organic Chemistry, Part B: Reactions and Synthesis." 5th ed. Springer.
Corey, E. J., and Xue-Min Cheng. 1995. "The Logic of Chemical Synthesis." Wiley.
Greene, Theodora W., and Peter G. M. Wuts. 2014. "Greene's Protective Groups in Organic Synthesis." 5th ed. Wiley.
Smith, Michael B. 2020. "Organic Synthesis." 4th ed. Academic Press.
Carey, Francis A., and Richard J. Sundberg. 2007. "Advanced Organic Chemistry, Part A: Structure and Mechanisms." 5th ed. New York: Springer.
Anslyn, Eric V., and Dennis A. Dougherty. 2006. Modern Physical Organic Chemistry. Sausalito, CA: University Science Books.
Bretherick, Leslie. 1990. Bretherick's Handbook of Reactive Chemical Hazards. 4th ed. London: Butterworths.
Urben, Peter, ed. 2017. Bretherick's Handbook of Reactive Chemical Hazards. 8th ed. Oxford: Butterworth-Heinemann.
Yoshida, Tadao, Yusaku Iwata, Hiroshi Itoh, and Mitsuru Arai. 2009. Safe Storage of Reactive Chemicals. New York: Plenum Press.
Mortimer, Charles E. 2005. Chemistry: A Conceptual Approach. 9th ed. Belmont, CA: Wadsworth.
Engel, Thomas, and Philip Reid. 2013. Physical Chemistry. 3rd ed. Boston: Pearson.
Steinfeld, Jeffrey I., Joseph S. Francisco, and William L. Hase. 1998. Chemical Kinetics and Dynamics. 2nd ed. Upper Saddle River, NJ: Prentice Hall.
Houston, Paul L. 2001. Chemical Kinetics and Reaction Dynamics. New York: McGraw-Hill.
Eyring, Henry. 1935. "The Activated Complex in Chemical Reactions." Journal of Chemical Physics 3 (2): 107–115. https://doi.org/10.1063/1.1749604.
Kresge, A. Jerry. 2001. "Reaction kinetics in 100-year-old laboratories." Chemical Society Reviews 30 (4): 197–200. https://doi.org/10.1039/B100445F.
Brönsted, J. N. 1929. "Acid and Basic Catalysis." Chemical Reviews 5 (3): 231–338. https://doi.org/10.1021/cr60019a001.
Larock, Richard C. 2018. Comprehensive Organic Transformations: A Guide to Functional Group Preparations. 3rd ed. Hoboken, NJ: John Wiley & Sons.
Mundy, Bradford P., Michael G. Ellerd, and Frank G. Favaloro Jr. 2005. Name Reactions and Reagents in Organic Synthesis. 2nd ed. Hoboken, NJ: Wiley-Interscience.
Li, Jie Jack. 2014. Name Reactions: A Collection of Detailed Mechanisms and Synthetic Applications. 5th ed. Heidelberg: Springer.
Kürti, László, and Barbara Czakó. 2005. Strategic Applications of Named Reactions in Organic Synthesis. Burlington, MA: Elsevier Academic Press.
Trost, Barry M., and Ian Fleming, eds. 1991. Comprehensive Organic Synthesis: Selectivity, Strategy, and Efficiency in Modern Organic Chemistry. 9 vols. Oxford: Pergamon Press.
Jacobsen, Eric N., Andreas Pfaltz, and Hisashi Yamamoto, eds. 1999. Comprehensive Asymmetric Catalysis. 3 vols. Berlin: Springer.
Hartwig, John F. 2010. Organotransition Metal Chemistry: From Bonding to Catalysis. Sausalito, CA: University Science Books.
Crabtree, Robert H. 2014. The Organometallic Chemistry of the Transition Metals. 6th ed. Hoboken, NJ: John Wiley & Sons.
Negishi, Ei-ichi, ed. 2002. Handbook of Organopalladium Chemistry for Organic Synthesis. 2 vols. New York: Wiley-Interscience.
de Meijere, Armin, and François Diederich, eds. 2004. Metal-Catalyzed Cross-Coupling Reactions. 2nd ed. 2 vols. Weinheim: Wiley-VCH.
Berkessel, Albrecht, and Harald Gröger. 2005. Asymmetric Organocatalysis: From Biomimetic Concepts to Applications in Asymmetric Synthesis. Weinheim: Wiley-VCH.
Dalko, Peter I., ed. 2007. Enantioselective Organocatalysis: Reactions and Experimental Procedures. Weinheim: Wiley-VCH.
List, Benjamin, Richard A. Lerner, and Carlos F. Barbas III. 2000. "Proline-catalyzed direct asymmetric aldol reactions." Journal of the American Chemical Society 122 (10): 2395–2396. https://doi.org/10.1021/ja994280y.
MacMillan, David W. C. 2008. "The advent and development of organocatalysis." Nature 455 (7211): 304–308. https://doi.org/10.1038/nature07367.
Noyori, Ryōji. 2002. "Asymmetric catalysis: science and opportunities (Nobel lecture)." Angewandte Chemie International Edition 41 (12): 2008–2022. https://doi.org/10.1002/1521-3773(20020617)41:12<2008::AID-ANIE2008>3.0.CO;2-4.
Sharpless, K. Barry. 2002. "Searching for new reactivity (Nobel lecture)." Angewandte Chemie International Edition 41 (12): 2024–2032. https://doi.org/10.1002/1521-3773(20020617)41:12<2024::AID-ANIE2024>3.0.CO;2-O.
Knowles, William S. 2002. "Asymmetric hydrogenations (Nobel lecture)." Angewandte Chemie International Edition 41 (12): 1998–2007. https://doi.org/10.1002/1521-3773(20020617)41:12<1998::AID-ANIE1998>3.0.CO;2-8.
Grubbs, Robert H. 2006. "Olefin-metathesis catalysts for the preparation of molecules and materials (Nobel lecture)." Angewandte Chemie International Edition 45 (23): 3760–3765. https://doi.org/10.1002/anie.200600680.
Schrock, Richard R. 2006. "Multiple metal-carbon bonds for catalytic metathesis reactions (Nobel lecture)." Angewandte Chemie International Edition 45 (23): 3748–3759. https://doi.org/10.1002/anie.200600085.
Suzuki, Akira. 2011. "Cross-coupling reactions of organoboranes: an easy way to construct C-C bonds (Nobel lecture)." Angewandte Chemie International Edition 50 (30): 6722–6737. https://doi.org/10.1002/anie.201101379.
Negishi, Ei-ichi. 2011. "Magical power of transition metals: past, present, and future (Nobel lecture)." Angewandte Chemie International Edition 50 (30): 6738–6764. https://doi.org/10.1002/anie.201101380.
List, Benjamin, and David W. C. MacMillan. 2022. "Asymmetric organocatalysis (Nobel lecture)." Angewandte Chemie International Edition 61 (38): e202205927. https://doi.org/10.1002/anie.202205927.
Bertozzi, Carolyn R., Morten Meldal, and K. Barry Sharpless. 2023. "Click chemistry and bioorthogonal chemistry (Nobel lectures)." Angewandte Chemie International Edition 62 (16): e202300332. https://doi.org/10.1002/anie.202300332.
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Corey, E. J., and László Kürti. 2010. Enantioselective Chemical Synthesis: Methods, Logic, and Practice. Direct Book Publishing.
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Organic Syntheses, Inc. 2024. "Organic Syntheses Collective Volumes 1–10 (1932–2004) and Annual Volumes 1–100 (1922–2024)." Hoboken, NJ: Wiley. https://www.orgsyn.org/.
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PUBPalasingh C; Janewithayapun R; Cavalcanti LP; Abik F; Mikkonen KS; Cousin F. 2026. "Aggregation of Modified Glucuronoxylan in Water and DMSO." Biopolymers. https://doi.org/10.1002/bip.70091.
PUBHuang CJ; Chiu L; Chuang HJ; Wu SM. 2026. "Transgenerational effects of maternal exposure to diethyl phthalate (DEP) and dimethyl sulfoxide (DMSO) in zebrafish (Danio rerio)." Aquatic toxicology (Amsterdam, Netherlands). https://doi.org/10.1016/j.aquatox.2026.107787.
PUBBefekadu R; Bosnjak N; Uhlin M; Wikman A; Sandgren P. 2025. "Innovations in Platelet Cryopreservation: Evaluation of DMSO-Free Controlled-Rate Freezing and the Role of a Deep Eutectic Solvent as an Additional Cryoprotective Agent." International journal of molecular sciences. https://doi.org/10.3390/ijms262010013.
💎 Crystal forms / Polymorphs1 form in databaseMolGod_POLYMORPH_2
PUBKlbik I; Melicherčík M; Račko D; Maťko I; Lakota J; Šauša O. 2026. "Reassessing DMSO-lipid interactions: Improved AMBER force fields emphasize solvent rather than bilayer effects in cryoprotection." Biochimica et biophysica acta. Biomembranes. https://doi.org/10.1016/j.bbamem.2025.184481.
PUBChen C; Chong J; Bertoft E; Zhu F. 2025. "Chemical gelatinization of pea and chickpea starch granules in dimethyl sulfoxide: Structural and physicochemical analysis." Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2025.124293.
PUBGhonyan S; Poghosyan D; Martirosyan A; Margaryan S; Avetisyan A; Khachatryan Z. 2025. "Unraveling the functional landscape of ATRA- and DMSO-differentiated HL-60 cells." PloS one. https://doi.org/10.1371/journal.pone.0331783.
PUBKolić D; Gerlits O; Kucharski M; Gorecki L; Joiner N; Kovalevsky A. 2025. "Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE." Chemico-biological interactions. https://doi.org/10.1016/j.cbi.2025.111649.
PUBLiu H; Wang A; Chen X; Hou S; Li A. 2025. "Overestimated cytotoxicity and underestimated whitening efficacy of glabridin: A result of its poor solubility in DMSO." PloS one. https://doi.org/10.1371/journal.pone.0325247.
📚 Scientific references (Chicago Author-Date)
Anonymous. 2026. "Review for "A Practical and Scalable Pathway for DMSO-Based Perovskite Modules: All-Green, Ambient-Air Fabrication via Direct α-Phase Transition.". https://doi.org/10.1039/d6el00082g/v1/review1. [DOI]
Anonymous. 2026. "Review for "A Practical and Scalable Pathway for DMSO-Based Perovskite Modules: All-Green, Ambient-Air Fabrication via Direct α-Phase Transition.". https://doi.org/10.1039/d6el00082g/v1/review3. [DOI]
Anonymous. 2026. "Review for "A Practical and Scalable Pathway for DMSO-Based Perovskite Modules: All-Green, Ambient-Air Fabrication via Direct α-Phase Transition.". https://doi.org/10.1039/d6el00082g/v1/review2. [DOI]
Anonymous. "Dope-Dyed Electrospun PA6/DMSO-PEDOT:PSS All-Polymer Multilayer Composite Film for Synchronous Visual/Infrared Stealth.". https://doi.org/10.1021/acsapm.6c02046.s001. [DOI]
Palasingh C; Janewithayapun R; Cavalcanti LP; Abik F; Mikkonen KS; Cousin F. 2026. "Aggregation of Modified Glucuronoxylan in Water and DMSO." Biopolymers. https://doi.org/10.1002/bip.70091. [DOI]
Huang CJ; Chiu L; Chuang HJ; Wu SM. 2026. "Transgenerational effects of maternal exposure to diethyl phthalate (DEP) and dimethyl sulfoxide (DMSO) in zebrafish (Danio rerio)." Aquatic toxicology (Amsterdam, Netherlands). https://doi.org/10.1016/j.aquatox.2026.107787. [DOI]
Ismail OA; Stape THS; Shaalan O; Taymour N; Basha IE; Alsamoully WMA. 2026. "Clinical evaluation of composite restorations placed on dimethyl sulfoxide-treated cervical carious lesions: a 36-month randomized double-blind controlled trial." Journal of dentistry. https://doi.org/10.1016/j.jdent.2026.106587. [tło tematyczne — CAS niezweryfikowany w tej publikacji] [DOI]
Klbik I; Melicherčík M; Račko D; Maťko I; Lakota J; Šauša O. 2026. "Reassessing DMSO-lipid interactions: Improved AMBER force fields emphasize solvent rather than bilayer effects in cryoprotection." Biochimica et biophysica acta. Biomembranes. https://doi.org/10.1016/j.bbamem.2025.184481. [DOI]
Befekadu R; Bosnjak N; Uhlin M; Wikman A; Sandgren P. 2025. "Innovations in Platelet Cryopreservation: Evaluation of DMSO-Free Controlled-Rate Freezing and the Role of a Deep Eutectic Solvent as an Additional Cryoprotective Agent." International journal of molecular sciences. https://doi.org/10.3390/ijms262010013. [DOI]
Chen C; Chong J; Bertoft E; Zhu F. 2025. "Chemical gelatinization of pea and chickpea starch granules in dimethyl sulfoxide: Structural and physicochemical analysis." Carbohydrate polymers. https://doi.org/10.1016/j.carbpol.2025.124293. [DOI]
Ghonyan S; Poghosyan D; Martirosyan A; Margaryan S; Avetisyan A; Khachatryan Z. 2025. "Unraveling the functional landscape of ATRA- and DMSO-differentiated HL-60 cells." PloS one. https://doi.org/10.1371/journal.pone.0331783. [DOI]
Kolić D; Gerlits O; Kucharski M; Gorecki L; Joiner N; Kovalevsky A. 2025. "Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE." Chemico-biological interactions. https://doi.org/10.1016/j.cbi.2025.111649. [DOI]
Liu H; Wang A; Chen X; Hou S; Li A. 2025. "Overestimated cytotoxicity and underestimated whitening efficacy of glabridin: A result of its poor solubility in DMSO." PloS one. https://doi.org/10.1371/journal.pone.0325247. [DOI]
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Yu, Lian. 2010. "Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals." Accounts of Chemical Research 43 (9): 1257-1266. https://doi.org/10.1021/ar100040r.
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 111 items
All scientific sources cited in the accordions above for CAS 67-68-5. Format: Chicago Manual of Style 17th ed., Author-Date system.
AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 67-68-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
PubChem. 2026. PubChem Compound Summary: CAS 67-68-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=67-68-5. (Accessed 2026-11-12.)
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 67-68-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. (Accessed 2026-11-12.)
📄 Scientific articles (peer-reviewed)
Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
Goldfrank, Lewis R., Neal Flomenbaum, Neal A. Lewin, Mary Ann Howland, Robert S. Hoffman, and Lewis S. Nelson (2015) — Goldfrank's Toxicologic Emergencies
U.S. OSHA. 2026. "Occupational Safety and Health Guidance: CAS 67-68-5." Washington, DC: U.S. Occupational Safety and Health Administration. https://www.osha.gov/hazwoper. (Accessed 2026-11-12.)
National Fire Protection Association (2018) — NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents https://www.nfpa.org/codes-and-standards/nfpa-472.
U.S. National Institute for Occupational Safety and Health (2024) — NIOSH Pocket Guide to Chemical Hazards https://www.cdc.gov/niosh/npg/.
Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026.
Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. https://doi.org/10.1021/ac101742z.
Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." John Wiley & Sons. https://doi.org/10.1002/9780470508183.
U.S. FDA. 2026. "FDA Guidance and Resources: CAS 67-68-5." Silver Spring, MD: U.S. Food and Drug Administration. https://www.fda.gov/media/74954/download. (Accessed 2026-11-12.)
International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
Ministerstwo Klimatu i Srodowiska. 2026. "Baza Danych o Odpadach (BDO): CAS 67-68-5." Warszawa: Ministerstwo Klimatu i Srodowiska. https://bdo.mos.gov.pl/. (Accessed 2026-11-12.)
Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
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