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)
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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
Gegevensbronnen:
PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)
Laatst bijgewerkt: 2026-04-26
Regelgevingsstatus van de stof
Deze stof is onderworpen aan reglementaire vereisten: beheer van gevaarlijke afvalstoffen (BDO-register). Details in de sectie "Regelgevingsstatus (REACH/ECHA/CLP)" en op de SDS. Regelgevingsinformatie — beperkt de aankoop in deze winkel niet.
📚 De boekbibliografie moet nog worden gegenereerd. Gecureerde algemene leerboeken zijn hieronder beschikbaar; CAS-specifieke Google Books kunnen via het beheerpaneel worden opgehaald.
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. ↗
📊Databases met spectroscopische spectra — inline-gegevens9 bronnenMolGod_SPECDB_2
Spectra worden op aanvraag opgehaald uit 9 bronnen. Elk spectrum wordt opgeslagen in onze database — de volgende keer openen = geen enkele aanvraag naar de externe API. Download JCAMP-DX / CSV / PNG bij elk spectrum zonder te zoeken.
Gegevens opgehaald via MolGod_Spectra_Remote_Fetcher (JCAMP-DX-parser) en opgeslagen in de tabel wp_molgod_spectra_cache. Geen dubbele downloads, geen herhaalde aanvragen naar NIST bij volgende openingen. Licenties worden nageleefd (alleen een deep-link plus onze eigen visualisatie wordt gepubliceerd).
Gegevens worden live opgehaald uit meerdere bronnen (priority-chain). JCAMP-DX / CSV / PNG beschikbaar om te downloaden onder elk spectrum. ⓘ Eén bron ★★☆☆☆ⓘ Eén bron ★★☆☆☆
IR — Fourier-transform infrarood
IR — Fourier-transform infrarood wordt geladen…
MS — massaspectrometrie (EI 70eV)
MS — massaspectrometrie (EI 70eV) wordt geladen…
IR / FTIR-bandvoorspelling (functionele groepen)
(2 banden)
Banden heuristisch voorspeld op basis van de SMILES (CS(=O)C) aan de hand van de correlatietabellen van Silverstein/Coates/Stuart/Smith. Aflopend gesorteerd op golfgetal (cm⁻¹).
Groep
Bereik (cm⁻¹)
Mode
Intensiteit
Voorbeelden
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)
Bibliografie (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.
Becke, Axel D. 1993. "Density-Functional Thermochemistry. III. The Role of Exact Exchange." Journal of Chemical Physics 98 (7): 5648–5652. Definitie van de B3LYP-functionaal.
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. Schaalfactoren voor DFT (bijv. 0.9614 voor 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. Update van Scott & Radom — schaalfactoren voor nieuwere DFT-functionalen.
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. De LYP-correlatie — aanvulling op Becke 1993 voor 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. Definitie van de 6-31G*-basisset (split-valence + polarisatie).
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 voor theoretische waarden — de fallbacklink in de widget.
Cramer, Christopher J. 2004. "Essentials of Computational Chemistry: Theories and Models." 2nd ed. Chichester: Wiley. Een handboek over DFT-methoden en berekeningen van vibratiefrequenties.
Jensen, Frank. 2017. "Introduction to Computational Chemistry." 3rd ed. Chichester: Wiley. Modern computational chemistry — basissets + methoden voor vibratiespectra.
Foresman, James B., and Æleen Frisch. 2015. "Exploring Chemistry with Electronic Structure Methods." 3rd ed. Wallingford, CT: Gaussian, Inc. Een praktische Gaussian-gids — IR + Raman + NMR met DFT.
🎓 Gids voor spectruminterpretatie (voor studenten)
Wyjaśnienia każdego pasma w widmie — dlaczego pojawia się tam, gdzie się pojawia, i co świadczy o strukturze.
IR (infrarood) (8 pieken)
Het IR (infrarood)-spectrum bevat 8 geïdentificeerde banden. De onderstaande analyse legt uit wat elk daarvan structureel betekent en waarom deze in dat bepaalde bereik verschijnt.
C–H stretch (sp3, alkyl)CH3/CH2● high
Band "C–H stretch (sp3, alkyl)" verschijnt in de gevallen: 2,898.0 cm⁻¹ (zwak (w)). Dit is de rekvibratie van alifatische sp³ C–H-bindingen. Aanwezig in vrijwel elke organische verbinding met een alkylketen.
C–O stretch (alcohol primary, ester)CO● medium
Band "C–O stretch (alcohol primary, ester)" verschijnt in de gevallen: 1,092.0 cm⁻¹ (sterk (s)). De functionele groep wordt geïdentificeerd op basis van het karakteristieke bereik (Pavia/Silverstein) — het precieze fysische mechanisme hangt af van de dichtstbijzijnde chemische buren.
C–N stretch (amine), C–O stretch (alcohol/ether)CN/CO● medium
Band "C–N stretch (amine), C–O stretch (alcohol/ether)" verschijnt in de gevallen: 1,296.0 cm⁻¹ (zwak (w)). De functionele groep wordt geïdentificeerd op basis van het karakteristieke bereik (Pavia/Silverstein) — het precieze fysische mechanisme hangt af van de dichtstbijzijnde chemische buren.
O–H stretch (broad, COOH dimer)COOH● medium
Band "O–H stretch (broad, COOH dimer)" verschijnt in de gevallen: 2,978.0 cm⁻¹ (zwak (w)). Een zeer brede O–H-band (~2500–3300) samen met C=O (~1710) is de klassieke signatuur van een carbonzuur (dimeer).
📚 Bibliografie (Chicago)
Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. Een oefenboek met opgaven voor studenten (begeleider bij de interpretatiegids).
Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. Een klassieker van narratieve spectrale interpretatie — legt uit "waarom de piek hier ligt".
Crews, Phillip, Jaime Rodríguez, and Marcel Jaspars. 2009. "Organic Structure Analysis." 2nd ed. New York: Oxford University Press. Een workflow voor multiparametrische structurele interpretatie.
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. MS-fragmentatiemechanismen — McLafferty-herschikking, 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. Een open didactische gids voor IR/NMR/MS/UV — ideaal om functionele groepen uit te leggen.
Hesse, Manfred, Herbert Meier, and Bernd Zeeh. 2007. "Spektroskopische Methoden in der organischen Chemie." 8th ed. Stuttgart: Thieme. Het Duitse standaardhandboek over spectrale interpretatie.
Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. Een werkboek met geïntegreerde interpretatieve toelichtingen.
Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. Een volledig handboek over de interpretatie van IR/NMR/MS/UV-spectra.
🔎 Zoeken op spectrum (JCAMP-DX)
Upload een JCAMP-DX-bestand (.jdx, .dx, .jcm) — het systeem berekent de cosinusgelijkenis met alle spectra in de database en toont de TOP 10 matches.
📚 Bibliografie (Chicago)
McLafferty, Fred W., ed. 2018. Wiley Registry of Mass Spectral Data. 11th ed. Hoboken, NJ: Wiley. Een referentie-MS-bibliotheek (~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. Het cosine- + dot-product-algoritme van 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. De JCAMP-DX-specificatie (uitgebreid tot 5.01 voor NMR/MS).
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. Cosinusgelijkenis-matching en MS-fragmentatie — het fundament van het zoekalgoritme.
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 — standaarden voor het betrouwbaarheidsniveau van spectrale 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. Het AMDIS-algoritme — deconvolutie + 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. Encyclopedische lemma's over spectral library searching.
Smith, Brian C. 2011. "Fundamentals of Fourier Transform Infrared Spectroscopy." 2nd ed. Boca Raton, FL: CRC Press. FT-IR en het JCAMP-DX-formaat voor transmissiespectra.
Larkin, Peter. 2017. "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation." 2nd ed. Amsterdam: Elsevier. Principes van IR/Raman-library-matching en pieken-preprocessing.
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. ↗
🔄 Omrekenaar voor concentratie-eenheden LIVEMolGod_UNITCONV_1
Voer de concentratie Dimethyl Sulfoxide in een willekeurige eenheid in — de rest wordt automatisch berekend.
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)
📚 Bibliografie (8 gezaghebbende bronnen)
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
🧪 Wizard voor het bereiden van oplossingen WIZARDMolGod_PREP_1
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 ↗]
Oplosbaarheidstheorie (toegepast bij de voorspelling van compatibiliteit):
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-formule.
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.
Volledige bibliografie in het accordeon REFERENTIES (onderaan de pagina) — Chicago Manual of Style 17th ed., Author-Date.
🛡️ Veiligheid — CAS 67-68-5MolGod_SAFEHUB_MAIN
Mededeling over gegevensbeperkingen. De veiligheidsinformatie op deze pagina is uitsluitend ter informatie en vervangt geen volledig veiligheidsinformatieblad (SDS). Raadpleeg vóór gebruik van het product het actuele veiligheidsinformatieblad van de fabrikant en de GHS/CLP-richtlijnen. De CLP-indeling geldt voor de zuivere bulkstof, niet voor commerciële formuleringen.
GHS/CLP-indeling — Verordening (EG) nr. 1272/2008 + UN GHS Rev. 9 (2021).
⚠ Waarschuwing (Warning)
❗GHS07Irriterend / schadelijk
🚨 Gevarenaanduidingen (H)
H315 — Veroorzaakt huidirritatie.
H319 — Veroorzaakt ernstige oogirritatie.
H335 — Kan irritatie van de luchtwegen veroorzaken.
🛡 Voorzorgsmaatregelen (P)
P261 — Inademing van stof/rook/gas/nevel/dampen/spuitnevel vermijden.
P210 — Verwijderd houden van warmte, hete oppervlakken, vonken, open vuur en andere ontstekingsbronnen. Niet roken.
✓ Geharmoniseerde indeling overeenkomstig bijlage VI bij de CLP-verordening (EG) 1272/2008 (officiële, bindende indeling).
Vertalingen: CLP-verordening (EG) 1272/2008, Bijlage III en IV. Gegevens: PubChem/NLM.
☢️ Toxicologische gegevens (IARC + EPA CTX)
📖 Toxicologische samenvatting
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].
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.]
Formaat: Chicago Notes-Bibliography (genummerd). [n,m] = kruisverwijzing: beide bronnen bevestigen onafhankelijk dezelfde waarde. DOI-links = collegiaal getoetste wetenschappelijke studies. RESTRICTED = toegang via een wetenschappelijke bibliotheek.
Geen individuele IARC-vermelding voor deze CAS
Geen aparte IARC-monografie in de gecontroleerde lijsten — dit is GEEN bevestiging van het ontbreken van carcinogeniteit. Controleer de CLP/GHS-classificatie (sectie CMR / GHS).
🌍 Ecotoxicology & environmental fate (SDS sec. 8/12)
Source: ECHA REACH dossier / EU RAR — the same verified values as the Safety Data Sheet (SDS), sec. 8/12.
🔬 Grenswaarden voor beroepsmatige blootstelling (PubChem × NIOSH/OSHA)
ℹ️ GHS-meldingen van leveranciers (zelfclassificatie — niet-bindend)
Voor dit CAS-nummer is geen geharmoniseerde CLP-classificatie (bijlage VI) beschikbaar. De onderstaande codes zijn geaggregeerde zelfclassificaties van leveranciers (ECHA C&L-meldingen beschikbaar gesteld via PubChem) — ze vormen GEEN geharmoniseerde classificatie en kunnen overtollig zijn. De bindende bron blijft het veiligheidsinformatieblad (VIB) van de leverancier.
Hoogst gemelde waarschuwingssignaal: Warning
(volgens opgaven van kennisgevers, niet bindend)
De nummering [n] komt overeen met de superscript-voetnoten in de bovenstaande tekst. [n,m] = kruisverwijzing: beide bronnen bevestigen onafhankelijk van elkaar dezelfde waarde.
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]
📖 Algemene toxicologische literatuur (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. 🔗
🆘 Eerste hulp — noodproceduresCAS 67-68-5
Waarschuwing
Gevarenklasse: Irriterend
⚠️ BELANGRIJK:
Bij een ernstig incident — bel 112 of het Antigifcentrum: +48 42 631 47 24 (Łódź).
DMSO: penetrant — niet samen met andere chemicaliën aanbrengen (systemische opname). GEEN latexhandschoenen.
🩹
Huidcontact
⏱ Tijdlijn: Brak ostrych objawów; ewentualne podrażnienie po >30 min
🔴 Symptomen
Pieczenie, swędzenie
PENETRANT — przenosi rozpuszczone substancje przez skórę
Czosnkowy posmak/zapach z ust w 1 min
✅ Wat te doen
Zdejmij odzież NATYCHMIAST
Spłucz dużą ilością wody 15 min
Sprawdź czy DMSO nie zawierał innych chemikaliów (przenosi je do krwiobiegu)
❌ Wat te vermijden
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.
🚨 Noodprocedure — morsen van chemicaliënIrriterend
CAS 67-68-5GHS:H315H319H227💨 Ventilatie
🥽 PPE — Persoonlijke beschermingsmiddelen
Handschoenen:nitrilhandschoenen (>0,4 mm)
Veiligheidsbril:Ja
Bescherming van de ademhalingswegen:niet vereist, tenzij dampen aanwezig zijn
Overall:laboratoriumjas
Schoeisel:schoenen met dichte neus
📦 Kleine morsing (<1L) — absorptiemiddel: 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!)
🛢️ Grote morsing (>1L) ⚠️ Gevaarlijk materiaal
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
🩹 Eerste hulp
🧴 Huid
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
👁️ Ogen
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)
🫁 Inademing
1. Wyprowadź poszkodowanego na świeże powietrze
2. Jeśli oddycha z trudem → tlen
3. Nie oddychało → CPR + wzywaj 112
4. Obserwuj 24h (opóźnione objawy oddechowe)
🍽️ Inslikken
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
🌍 Milieu:
Water: Matig; Bodem: Laag; ❌ Niet in de riolering laten komen; Afvalcode: 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 ↗]
Bronnen: ECHA SDS · NIOSH Pocket Guide · GESTIS · Goldfrank Toxicologic Emergencies 10th ed..
Laatst geverifieerd: 2026-04-26 10:00:00.
Indicatieve gegevens — volg in een noodsituatie altijd de instructies van de leverancier + de lokale arbo- en veiligheidsvoorschriften.
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 ↗] — Classificatie van chemisch bestendige handschoenen type A/B/C; JKLPT-permeatietests
European Committee for Standardization (CEN). 2001. EN 166:2001 — Personal eye-protection — Specifications. CEN, Brussels. EN 166:2001. [link ↗] — Markeringen: B = middelhoge stootenergie, T = extreme temperaturen, 9 = gesmolten metalen en hete vaste stoffen
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) en Type 4 (spray-tight) bescherming tegen vloeibare chemicaliën
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 ↗] — Praktische gids voor de keuze van CPC (chemische beschermkleding) per stof en blootstellingsscenario
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 ↗] — De werkgever moet PBM + training + een schriftelijk gedocumenteerde risicobeoordeling verstrekken
🗄️ Opslagcompatibiliteitsmatrix (6×6)
Giftig
Visuele compatibiliteitskaart van opslagklassen — controleer voordat u containers naast elkaar plaatst. Beweeg de cursor over een cel om de uitleg en de bronregel te zien (NFPA / OSHA / Bretherick / ECHA).
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
♻️ Verwijdering van chemisch afval (BDO)Irriterend⚠️ BDO vereist
📋 Volledige BDO-lijst:bdo.mos.gov.pl ↗
— officieel register van het Ministerie van Klimaat en Milieu. Afvaloverdrachtskaart (KPO):BDO-sjabloon
verplicht voor elke levering van gevaarlijk afval.
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-cijferige EWC-codes + asterisk voor gevaarlijk
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 ↗] — Poolse afvalcatalogus — uitvoering van Besluit 2014/955/EU
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Centraal BDO-register — volledige lijst van bedrijven met vergunning voor afvalbeheer
Polska — Sejm RP. 2012. Ustawa z dnia 14 grudnia 2012 r. o odpadach. Dz.U. 2013 poz. 21 (z późn. zm.). [link ↗] — Nationale wet — definieert de verplichtingen van de afvalproducent + BDO-registratie
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Classificatie van laboratoriumafval + scheidingsprocedures (hoofdstuk Waste Management); EN 374:2013 handschoennormen voor personen die gevaarlijk afval hanteren.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Afvalclassificatie per CAS + onverenigbaarheden — invoer voor de EWC-mapping.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reactiviteit + opslagcompatibiliteit van afval (oxidatoren vs brandbare stoffen — gescheiden stromen).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH per CAS — basis voor de vereiste PBM bij afvaltransport (KPO).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — trainingen + PBM voor de omgang met gevaarlijk afval.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Afvalbeheerhiërarchie (preventie → nuttige toepassing → verwijdering); definieert "gevaarlijk afval".
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-classificatie van H-zinnen → mapping naar EWC * (asterisk = gevaarlijk).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — eisen voor het transport van gevaarlijk afval (KPO + UN-nummer + klassen 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — Internationale richtlijnen voor neutralisatie + verwijdering 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 ↗] — Grensoverschrijdende overbrenging van gevaarlijk afval — kennisgevings- + toestemmingseisen vóór export
ℹ️ Checklist van regelgevende verplichtingen voor CAS 67-68-5.
Status gebaseerd op: ADR 2023 (Tabel A), REACH Bijlage XVII, CLP Bijlage VI (geharmoniseerde indeling), hazard class uit m14-spill DB, SVHC, GIS en MAC PL. Principe: geen gegevens = geen bewering (wij verklaren NIET 'geen beperkingen' zonder basis).
Hoe te voldoen: VOLDAAN — veiligheidsinformatieblad v18 (PL) beschikbaar om te downloaden op deze pagina.Vereiste: actueel SDS conform Verord. 1907/2006 (REACH) bijlage II, formaat met 16 rubrieken.
Rechtsgrondslag: Rozporządzenie (WE) 1907/2006 (REACH) Art. 31 + Aneks II
Hoe te voldoen: Het etiket moet bevatten: GHS-pictogrammen, het signaalwoord (Gevaar/Waarschuwing), gevarenaanduidingen (H) en voorzorgsmaatregelen (P), gegevens van de fabrikant. Verplicht sinds 2010 (stoffen) en 2015 (mengsels).
Hoe te voldoen: Laboratoriumpersoneel: initiële opleiding (algemene introductie + functiegebonden) + herhalingsopleiding elke 5 jaar (of elke 3 jaar voor ingenieurs-/technische functies). Documentatie bewaard in het personeelsdossier.
Hoe te voldoen: BDO-registratie is verplicht voor producenten van gevaarlijk afval. Voor elke levering is een afvaloverdrachtskaart (KPO) vereist. Jaarverslag uiterlijk 15 maart van het volgende jaar.
Rechtsgrondslag: Ustawa z 14 grudnia 2012 r. o odpadach (Dz.U. 2013 poz. 21)
⚪ADR-transport (internationale overeenkomst)niet van toepassing
Hoe te voldoen: Volgens ADR 2023 is de stof niet ingedeeld als gevaarlijke goederen voor wegvervoer — standaardvervoer. Bevestig altijd de vorm/concentratie aan de hand van rubriek 14 van het veiligheidsinformatieblad.
Rechtsgrondslag: Umowa europejska ADR 2025 + Ustawa z 19 sierpnia 2011 r. o przewozie towarów niebezpiecznych
Hoe te voldoen: Importeurs/fabrikanten van ≥1 ton/jaar moeten de stof bij ECHA registreren (technisch dossier + Chemical Safety Report bij ≥10 t). Raadpleeg de ECHA Annex VI / registered substances list.
❓REACH Bijlage XVII (beperkingen voor gebruik/marketing)te verifiëren
Hoe te voldoen: 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.
Rechtsgrondslag: Rozporządzenie (WE) 1907/2006 (REACH) Załącznik XVII — ograniczenia produkcji/obrotu/stosowania
❓MAC — Maximale Aanvaardbare Concentratie in de werkomgevingte verifiëren
Hoe te voldoen: Geen MAC-gegevens in de MOL-GOD-verzameling (onvolledige verzameling — ~41 van ~600 stoffen op de lijst). Afwezigheid betekent GEEN afwezigheid van MAC — raadpleeg de volledige lijst Pb. 2024 pos. 1017 (Regeling MRiPS van 4 september 2024), en bij afwezigheid pas OEL uit EU-richtlijnen of aanbevolen door NIOSH/ACGIH toe.
Rechtsgrondslag: Rozp. MRiPS z 4 września 2024 r. (Dz.U. 2024 poz. 1017) — NDS i NDSCh
⚪GIS-register (precursoren / psychotropica)niet van toepassing
Hoe te voldoen: Niet opgenomen in de beschikbare werkverzameling van precursoren (onvolledige lijst). Afwezigheid is GEEN bevestiging — verifieer aan de hand van bijlage I van Verordening (EG) 273/2004 en de GIS-lijst vóór het in de handel brengen.
Rechtsgrondslag: Rozp. (WE) 273/2004 + Ustawa o przeciwdziałaniu narkomanii (Dz.U. 2005 nr 179 poz. 1485)
Hoe te voldoen: VOLDAAN — informatieblad in het Pools (v18) beschikbaar op deze pagina.Vereiste: SDS in het Pools voor handel in PL (Art. 31 REACH + Chemische Stoffenwet Art. 17).
Rechtsgrondslag: 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 ↗] — Indeling, etikettering en verpakking van stoffen + mengsels (GHS-implementatie in de 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 — registratie, beoordeling en autorisatie van chemische stoffen; SVHC; SDS bijlage 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 ↗] — MAC en MACpiek voor ~600 chemische stoffen — actuele Poolse beroepsblootstellingslimieten
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 ↗] — Internationale overeenkomst inzake het wegvervoer van gevaarlijke goederen — UN-nummers, klassen, verpakkingen
📚 Geconsolideerde wetenschappelijke referenties — Chicago Author-Date 10 bronnen
Referenties verzameld uit alle tabbladen van de Safety Hub. 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, Regelgeving
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
Tabbladen met eigen referenties (Emergency, PPE, Storage, Waste) bevatten aanvullende bibliografische vermeldingen binnen hun respectieve secties.
Plak een reeks herhaalde metingen (CSV of één getal per regel). De calculator berekent het gemiddelde, de standaardafwijking en 95% CI, en detecteert uitschieters (Grubbs + Dixon Q).
Scheidingsteken: komma, spatie, tab, nieuwe regel. Minimaal 3 metingen.
📐 Statistische formules
x̄ = Σxᵢ / n — rekenkundig gemiddelde
s² = Σ(xᵢ - x̄)² / (n-1) — steekproefvariantie
s = √s² — standaardafwijking
RSD% = (s / x̄) × 100% — relatieve standaardafwijking
ℹ️ Single-CAS Integrity: De volgende oplosmiddelen zijn analytische hulpmiddelen (HPLC mobiele fase) — NIET de geanalyseerde stof. De waarden die in andere accordeons worden getoond (MW, GHS, toxicologie) hebben betrekking op het huidige molecuul, niet op deze oplosmiddelen. Uitzondering: Single-CAS Integrity (categorie "oplosmiddelen/buffers/analytische methoden").
Fase
Oplosmiddel / CAS
Status
Actie
A
Woda + 10mM bufor wodorowęglanu amonu CAS 7732-18-5
ℹ️ Single-CAS Integrity: De volgende oplosmiddelen zijn analytische hulpmiddelen (HPLC mobiele fase) — NIET de geanalyseerde stof. De waarden die in andere accordeons worden getoond (MW, GHS, toxicologie) hebben betrekking op het huidige molecuul, niet op deze oplosmiddelen. Uitzondering: Single-CAS Integrity (categorie "oplosmiddelen/buffers/analytische methoden").
Fase
Oplosmiddel / CAS
Status
Actie
A
Woda + 10mM bufor wodorowęglanu amonu CAS 7732-18-5
ℹ️ Single-CAS Integrity: De volgende oplosmiddelen zijn analytische hulpmiddelen (HPLC mobiele fase) — NIET de geanalyseerde stof. De waarden die in andere accordeons worden getoond (MW, GHS, toxicologie) hebben betrekking op het huidige molecuul, niet op deze oplosmiddelen. Uitzondering: Single-CAS Integrity (categorie "oplosmiddelen/buffers/analytische methoden").
Fase
Oplosmiddel / CAS
Status
Actie
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)
Kolom: C18, 5 μm
Fase: mobile phase was composed of formic acid–water (0
Detectie: MS
Debiet: 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)
Kolom: C18, 5 μm
Fase: mobile phase consists of 1% formic acid and acetonitrile, 35/65 (v/v)
Detectie: UV 300 nm
Debiet: 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)
Kolom: C18, 10 x 250 mm, 5 μm
Fase: mobile phase was methanol:water (50:50)
Detectie: UV 550 nm
Debiet: 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.
antidepressantstryptaminemushroomsfungi
📈 Methodevalidatie (ICH Q2)
Geen validatiegegevens. Neem contact op met de auteur van de methode.
📊 Validatie van de HPLC-methode (ICH Q2(R1))PARTIAL
3 metrics need experimental data
Parameter
Waarde
Eenheid
ICH Q2-criterium
Status
Lineariteit (R²)
geen gegevens
unitless
R² ≥ 0.999 (≥0.99 voor bioanalytische methoden)
—
LOD (S/N = 3:1)
geen gegevens
ng/mL
S/N ≥ 3:1 (laagste detecteerbare concentratie)
—
LOQ (S/N = 10:1)
geen gegevens
ng/mL
S/N ≥ 10:1 (LOQ ≥ 3×LOD doorgaans)
—
Precisie (RSD intraday, n=6)
geen gegevens
% RSD
RSD ≤ 2% (intraday) / ≤ 3% (interday) voor de API
—
Juistheid (recovery, 3 niveaus)
geen gegevens
% (target 100±2%)
Recovery 98-102% (target 100%)
—
Lineariteitsbereik
geen gegevens
bijv. 0.1-100 ng/mL
Min. 80-120% van de nominale concentratie
—
Selectiviteit/Specificiteit
geen gegevens
qualitative
Geen interferentie — analytpiek volledig gescheiden (Rs ≥ 2.0)
—
Robuustheid (robustness)
geen gegevens
RSD < 2% bij ±5% variatie
RSD < 2% bij kleine parametervariaties
—
Legend:✓ PASS⚠ CAUTION✗ FAIL— NO_DATA
📚 Wetenschappelijke referenties (Chicago Author-Date) — klik om uit te klappen
Standaarden voor validatie van analytische methoden — 4 onafhankelijke bronnen (ICH + USP + AOAC + Snyder).
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.
Diagnostiek van de 12 meest voorkomende HPLC-problemen met een beslissingsboom (5 stappen per probleem). Bron: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.
Verbrede pieken (broad peaks) medium
Symptoom: Alle pieken op het chromatogram zijn breder dan verwacht (FWHM > 2× normaal)
🔍 Diagnostische boom:
1. Controleer of alle pieken verbreed zijn of slechts sommige → JA: Alle → instrumenteel probleem (kolom of systeem) → NEE: Slechts sommige → chemisch probleem (interactie met de kolom voor specifieke analyten)
2. Verwissel met een testkolom — verdwijnt het probleem? → JA: KOLOM versleten — packing beschadigd, void in de eerste mm. Vervang hem. → NEE: Probleem in het LC-systeem
3. Controleer het dode volume (dead volume) — injectielus, verbindingen, detector → JA: Lus > 100 µL voor een 4.6 mm kolom of losse verbindingen → vervang de ferrules, kort de leidingen in → NEE: Diagnostiek voortzetten
4. Temperatuurtest: verhoog de kolom van 25°C naar 40°C → JA: Smallere pieken → massatransferkinetiek te traag (verhoog T) → NEE: Continue
5. Controleer het debiet t.o.v. het van Deemter-optimum voor deze kolom → JA: Optimum voor 4.6mm/5µm = 1.0 mL/min, voor 2.1mm/3µm = 0.4 mL/min → NEE: Continue
⚠️ Typische oorzaken:
Kolom versleten (>2000 injecties zonder voorkolom)
Dood volume van het systeem > 100 µL (verkeerde lus, lange leidingen, losse ferrules)
Temperatuur te laag (massatransferkinetiek)
Debiet buiten het van Deemter-optimum
Monsteroplosmiddel sterker dan mobiele fase A
✓ Oplossingen:
✓ Vervang de kolom (bij >2000 injecties)
✓ Controleer alle verbindingen — houd de leidingen zo kort mogelijk
✓ Verhoog de kolomtemperatuur naar 40°C (als de stof stabiel is)
✓ Verlaag het debiet naar het van Deemter-optimum
✓ Los het monster op in mobiele fase A (niet in puur organisch)
Piektailing (tailing, T > 1.5) high
Symptoom: Pieken hebben een verlengde "staart" aan de late-elutiezijde (asymmetrie T = b/a > 1.5 volgens USP)
🔍 Diagnostische boom:
1. Bevat de stof basische groepen (amino, pyridine)? → JA: Ja → silanolinteracties! Voeg 0.1% TFA of 5-10 mM TEA toe aan mobiele fase A. → NEE: Continue
2. Controleer de pH van de mobiele fase t.o.v. de pKa van de stof → JA: pH = pKa ± 1 → gedeeltelijke ionisatie, peak split. Verplaats de pH ≥ 2 eenheden weg van de pKa. → NEE: Continue
3. Controleer de leeftijd van de kolom (>1500 injecties?) → JA: Ja → blootgelegde silanolen (column bleed). Vervang door een kolom met hogere endcapping (XTerra, Symmetry). → NEE: Continue
4. Bevat het monster metalen (Fe, Cu uit glazen flesjes)? → JA: Ja → gebruik kleurloze type II-flesjes of PFA. Voeg 0.1mM EDTA toe aan het monster. → NEE: Continue
⚠️ Typische oorzaken:
Silanolinteracties (basische analyt + vrije silanolen van silicagel)
pH op de grens van de pKa van de analyt (peak split)
Oude kolom (column bleed, hoge silanolactiviteit)
Metalen in het monster (chelatie → tailing)
Kolomoverbelasting (>50 µg op een 4.6mm kolom)
✓ Oplossingen:
✓ Voeg 0.1% TFA (UV) of 0.1% mierenzuur (LC-MS) toe aan mobiele fase A
✓ Kies een kolom met hoogzuivere endcapping: Waters XBridge BEH, Phenomenex Kinetex
✓ Werk bij een pH ≥ 2 eenheden weg van de pKa
✓ 0.1mM EDTA aan het monster (Fe/Cu-chelatie)
✓ Verlaag het injectievolume naar ≤ 20 µL voor een 4.6mm kolom
Basislijndrift (baseline drift) medium
Symptoom: De basislijn stijgt of daalt systematisch gedurende >5 minuten
🔍 Diagnostische boom:
1. Gebruik je een gradiënt (B% neemt toe)? → JA: Ja → verschillende absorptie van fasen A vs B bij dλ. Oplosmiddelwisseling in de UV-cutoff. Controleer de UV-absorptie van het % organisch. → NEE: Verder (isocratisch)
2. Controleer de kolomtemperatuur — is deze stabiel tot ±0.5°C? → JA: Ja (stabiel) → verder → NEE: Instabiel → schakel de kolomthermostaat in (>25°C gecontroleerd)
3. Test: schakel de autosampler uit, laat alleen pomp+kolom+detector draaien → JA: De drift verdwijnt → contaminatie van de autosampler (reinig de naald, het septum) → NEE: Continue
4. Controleer de leeftijd van de lamp (D2 voor UV) → JA: Ja (>1500 uur) → vervang de lamp → NEE: Continue
⚠️ Typische oorzaken:
Gradiëntelutie met verschillende UV-cutoff van de fasen
Instabiele kolomtemperatuur
Autosampler-contaminatie van de naald/septum
UV-lamp oud (>1500h)
Detector-flowcel vervuild
Kolom niet geëquilibreerd (<10 kolomvolumes)
✓ Oplossingen:
✓ Kolom voor-equilibreren gedurende 10-15 kolomvolumes bij 100% A
✓ Kolomthermostaat aan, T 30-40°C stabiel
✓ Reinig de detector-flowcel met een 50:50 ACN:H2O-oplossing
✓ Vervang de D2-lamp indien >1500h
✓ Gebruik baseline subtraction (Chromeleon, native Empower-functie)
Geen piek / verloren piek (no peak) critical
Symptoom: De verwachte analytpiek verschijnt niet op het chromatogram
🔍 Diagnostische boom:
1. Heeft de injectie daadwerkelijk plaatsgevonden? → JA: Controleer het autosampler-log, de pompdruk (moet dalen tijdens de injectie) → NEE: Autosampler-probleem → controleer de loop, de naald, het monster in de vial
2. Zit het monster in de vial (correct volume, niet verdampt)? → JA: Continue → NEE: Geen monster — opnieuw pipetteren
3. Monsterstabiliteit — >24h geleden bereid? → JA: Ja → degradatie. Bereid een vers monster opnieuw. → NEE: Continue
4. Controleer de detectiegolflengte t.o.v. de λmax van de stof → JA: Detectie bij λ komt NIET overeen met λmax → geen signaal. Scan DAD 200-400nm. → NEE: Continue
5. Test: injecteer een zuivere standaard (van bekende concentratie, vers) → JA: De standaard geeft een piek → probleem met het monster (matrix, derivatisering) → NEE: Ook geen piek met de standaard → systeemprobleem (kolom, fase, gradiënt)
⚠️ Typische oorzaken:
Monster niet uit de vial genomen (autosampler-bug)
Monster gedegradeerd (>24h pH/temp/licht)
Detectie bij de verkeerde golflengte
Verkeerde mobiele fase (bijv. vergeten TFA)
Kolom omgekeerd / verkeerde stationaire fase
De stof elueert op het front (V0) → niet vastgehouden, niet zichtbaar
✓ Oplossingen:
✓ Bereid een vers monster opnieuw volgens het exacte protocol
✓ UV-Vis DAD-scan 200-400nm + zoeken naar λmax
✓ Controleer de samenstelling van de mobiele fase — is TFA toegevoegd?
✓ Test de omgekeerde kolomrichting (voorzichtig!)
✓ Voor retentie <1 min — verlaag de % B, MeOH in plaats van ACN
✓ Controleer de tabel "expected_rt" in wp_molgod_hplc_methods
Druk te hoog (pressure too high) critical
Symptoom: Pompdruk > 80% van het kolommaximum of systeem-shutdown met high-pressure error
🔍 Diagnostische boom:
1. Controleer of de kolom correct is aangesloten (richting van de pijl) → JA: OK → NEE: Kolom omgekeerd → draai om (nooit "achterstevoren" gebruiken)
2. Test: verwijder de kolom uit het systeem, laat alleen pomp+detector draaien → JA: Druk daalt naar <50 bar → probleem in de kolom (verstopt) → NEE: Druk blijft hoog → in-line filter verstopt, frit vervuild
3. Controleer het pre-kolomfilter (in-line frit) → JA: Vervuild en bruin → vervangen → NEE: Continue
4. Spoel de kolom terug met 50:50 ACN:H2O zonder de kolom — verdwijnt het? → JA: Deeltjes vast in de eerste mm — een flush van 30 min kan het herstellen → NEE: Vervang de kolom
Gradiënt met bufferfase + veel organisch → zoutprecipitatie
✓ Oplossingen:
✓ Filtreer het monster ALTIJD door 0.22 µm PVDF vóór injectie
✓ Vervang het in-line filter elke 100 injecties (of wanneer de druk >20% stijgt)
✓ Gebruik GEEN >20mM fosfaatbuffer + >70% ACN (het zout slaat neer)
✓ Spoel de kolom 30 min met 50:50 ACN:H2O in de omgekeerde richting (wanneer de fabrikant dit toestaat)
✓ Pre-kolom 4×3mm ter bescherming van de hoofdkolom
Spookpieken (ghost peaks) high
Symptoom: Onverklaarde pieken op het chromatogram die afwezig zijn in de kalibratie
🔍 Diagnostische boom:
1. Test: blanco injectie (zuiver monsteroplosmiddel) → JA: Er verschijnt een spookpiek → contaminatie van het systeem of de eluenten → NEE: Verschijnt alleen bij het monster → matrix
2. Groeit de spookpiek met de gradiënt (elueert bij hoog %B)? → JA: Ja → overladen kolom of sterk vastgehouden uit een vorige run → NEE: Onafhankelijk van de gradiënt → autosampler carryover
3. Increase carryover wash (between injections) → JA: Helpt → carryover was de oorzaak. Sterker wasprotocol. → NEE: Continue
4. Injectie van zuiver water — is er een piek? → JA: Ja → contaminatie van de waterbron (organische stoffen uit het DI-systeem) → NEE: Continue
⚠️ Typische oorzaken:
Carryover in de autosampler-naald/loop
Contaminatie van het eluens (zelfs HPLC-grade)
Sterk vastgehouden componenten uit vorige runs
Plastic in de vials (ftalaten, PEG uit de doppen)
DI-water onvoldoende gezuiverd
✓ Oplossingen:
✓ Versterk het wasprotocol: 100% B → 100% A → 50:50 (3 cycli)
✓ Sterke was: 100% DMSO of 100% MeOH vóór de kalibratie
✓ Filtreer de eluenten door 0.22 µm PTFE bij twijfel
✓ Gebruik amberkleurig glas + doppen met Teflon-coating voor monsters
✓ Periodieke gradiëntramp naar 100% B gedurende 10 min (clean-out)
📚 Wetenschappelijke referenties (Chicago Author-Date) — klik om uit te klappen
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 ↗]
🧪 Oplosbaarheid en compatibiliteit met oplosmiddelen MolGod_SOLUB_1
Molecuul
Dimethyl Sulfoxide
Formule
C2H6OS
logP
-0.60
Massa (g/mol)
78.14
Polariteit
Hydrofiel (polair)
⚠️ HSP-schatting (literatuur / group contribution). Indicatieve gegevens — vervangen geen experimenteel onderzoek.
Oplosbaarheidstheorie (toegepast bij de voorspelling van compatibiliteit):
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-formule.
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 — Volledige tabellarische set van 250+ oplosmiddelen (ε, μ, doniciteit, acceptorgetallen).
PubChem Compound Database — CAS 67-68-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.
Volledige bibliografie in het accordeon REFERENTIES (onderaan de pagina) — Chicago Manual of Style 17th ed., Author-Date.
🧮 Oplosbaarheidscalculator
Oplosbaarheid:—
logS:—
Methode:—
⚠️ —
Oplosbaarheid vs. temperatuur
🌐 Hansen Solubility Sphere (3D)
Hoe dichter bij het molecuul (rode bol), hoe beter het oplosmiddel. · Geavanceerd: labels + raster + assen + pulsatie.
Uw molecuul
Goed (Ra < 5)
Gemiddeld (Ra 5-10)
Zwak (Ra > 10)
📚 Databronnen HSP + Ra
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 ↗]
Methode: Group Contribution (GC) — snelle schatting van δD/δP/δH uit logP wanneer er geen experimentele gegevens zijn. Nauwkeurigheid ±2 MPa^½. Voor meer precisie → 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.
Nuttig?
❓ 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.
Nuttig?
❓ 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.
Nuttig?
❓ 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.
Nuttig?
❓ 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).
📊 Automatisch geëxtraheerde onderwerpen uit de abstracts van 3 publicaties voor CAS 67-68-5.
Algoritme: TF-IDF (Salton & Buckley 1988) — termfrequentie × inverse documentfrequentie.
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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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 + golflengte (UV/Vis)215 nm
Verbinding
Dimethyl sulfoxide (DMSO)
λmax
215 nm
λmin
200 nm
εmax (M⁻¹·cm⁻¹)
6,700
Oplosmiddel (referentie)
water
Voorgestelde λ
215 nm
Aanbevolen detector
UV
Alternatieven
PDA/DAD, MS, FLD
Gegevensbron: Pavia 2014, ch. 5 (n-to-pi* of S=O chromophore)
⚠ Compatibiliteit met mobiele fase
warning
λ=215 nm nabij cutoff Ethanol (210 nm) — mogelijk basislijnruis en drift, gebruik reagentia van hogere zuiverheid.
warning
λ=215 nm nabij cutoff 0.1% TFA in water (210 nm) — mogelijk basislijnruis en drift, gebruik reagentia van hogere zuiverheid.
advisory
Werken onder 220 nm vereist: oplosmiddelen van HPLC-kwaliteit, ontgassing van de mobiele fase, een schone buffer (vermijd TFA/acetaat) en een deuteriumlamp in goede staat.
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-pieksymmetriecalculator (USP Tf / As)
Bereken de USP-tailingfactor (Tf) en de asymmetrie (As) uit de piekhalfbreedtes. Voer a (linker halfbreedte) en b (rechter halfbreedte) in, gemeten op 5% of 10% van de piekhoogte.
📚 Referenties (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 ↗]
📊 Calculator voor resolutie en schotelgetal (Rs, N, H)
Bereken de resolutie Rs, het aantal theoretische schotels N en de HETP (H) voor een paar HPLC-pieken. Voer de retentietijden, piekbreedtes (op 50% of aan de basis) en de kolomlengte in.
📚 Referenties (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>)
Voer gegevens van 5-6 injecties in (areas, tr, tailing, plates) — de calculator berekent %RSD, gemiddelden en controleert de conformiteit met USP <621>. Je kunt CSV plakken (door komma's gescheiden) of afzonderlijke waarden bewerken.
📚 Referenties (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."
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.
☣️ Toxiciteit (LD50 / LC50) Niet ingedeeldMolGod_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)
Bron: Bartsch et al. 1976, Arch. Toxicol.; Gaylord Chemical SDS (1976). CAS 67-68-5.
LD50/LC50-gegevens zijn uitsluitend indicatief; zij vervangen niet het veiligheidsinformatieblad (SDS) noch een deskundige toxicologische beoordeling. GHS-classificatie voor de orale route (mg/kg bw) volgens UN GHS, 10e rev. 2023, Annex 1 §3.1.1.
Bibliografie (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
Bibliografie (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).
Omstandigheden: 60-80 C atmospheric pressure; NO/NO2 redox cycle; vacuum distillation
Opbrengst: 92.0 %
Gaylord Chemical Company. 2014. "DMSO Reaction Solvent: Technical Bulletin 102." Slidell, LA: Gaylord Chemical. Accessed via https://www.gaylordchemical.com/literature/.
Algemene bibliografie (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.
Wittcoff, Harold A., Bryan G. Reuben, and Jeffrey S. Plotkin. 2013. Industrial Organic Chemicals. 3rd ed. Hoboken, NJ: John Wiley & Sons.
Appl, Max. 2006. "Ammonia, 2. Production Processes." In Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. https://doi.org/10.1002/14356007.o02_o11.
Thiemann, Michael, Erich Scheibler, and Karl Wilhelm Wiegand. 2000. "Nitric Acid, Nitrous Acid, and Nitrogen Oxides." In Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. https://doi.org/10.1002/14356007.a17_293.
Hocking, Martin B. 2005. Handbook of Chemical Technology and Pollution Control. 3rd ed. Burlington, MA: Academic Press.
Corey, E. J., and László Kürti. 2010. Enantioselective Chemical Synthesis: Methods, Logic, and Practice. Direct Book Publishing.
Nicolaou, K. C., and E. J. Sorensen. 1996. Classics in Total Synthesis: Targets, Strategies, Methods. Weinheim: VCH.
Nicolaou, K. C., and Jason S. Chen. 2011. Classics in Total Synthesis III: Further Targets, Strategies, Methods. Weinheim: Wiley-VCH.
House, Herbert O. 1972. Modern Synthetic Reactions. 2nd ed. Menlo Park, CA: W. A. Benjamin.
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/.
Paquette, Leo A., David Crich, Philip L. Fuchs, Gary A. Molander, and Andre B. Charette, eds. 2009. Encyclopedia of Reagents for Organic Synthesis (e-EROS). 2nd ed. Hoboken, NJ: Wiley. https://onlinelibrary.wiley.com/doi/book/10.1002/047084289X.
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.
💎 Kristalvormen / polymorfen1 forma w bazieMolGod_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.
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