formaldehyde — label CAS 50-00-0

formaldehyde

IARC Group 1 — Carcinogenic to humans
CAS: 50-00-0 | IARC source
US TSCACA DSL_TOXICAU AICSMolGod Score: Primary

8,99 €

Chemical reagent Formaldehyd (CAS 50-00-0). Full encyclopedic card — classification, properties and safety data — below.

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MolGod_SDSCARD_1
REACH 2020/878
v16 · 21.07.2026
Category:
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3D model Formaldehyde, CAS 50-00-0, molecular formula CH2O, molar mass 30.026 g/mol
Chemical Overview: FormaldehydeMolGod_OVERVIEW_1
Molecular formulaCH2O
Molecular weight30.026 g/mol
Melting point-92 °C
Boiling point-19 °C
Density0.8153 g/cm³
LogP (lipophilicity)0.35
pKa13.27
IUPAC nameformaldehyde
SMILESC=O
InChIKeyWSFSSNUMVMOOMR-UHFFFAOYSA-N

Synonyms: formaldehyde · formalin · methanal · 50-00-0 · formol

Data sources: PubChem (NLM/NIH), CRC Handbook 105th ed. (Haynes 2024)
Last updated: 2026-11-10

SCIENTIFIC RESEARCH

[1]Europe PMC2025
Formaldehyde and its surrogates as a C1 platform for defossilised modern societies.
(2025). "Formaldehyde and its surrogates as a C1 platform for defossilised modern societies.". https://doi.org/10.1039/d5cs00882d
Go to full study ↗
[2]OpenAlex2016
Formaldehyde Stress Responses in Bacterial Pathogens
Nathan H. Chen, Karrera Y. Djoko, Frédéric J. Veyrier et al.. (2016). "Formaldehyde Stress Responses in Bacterial Pathogens". Frontiers in Microbiology. https://doi.org/10.3389/fmicb.2016.00257
Go to full study ↗
[3]Core2013
TiO2-doped resorcinol–formaldehyde (RF) polymer and carbon gels with photocatalytic activity
Geissler, Erik, Szilagyi, Imre, M., Czakkel, O. et al.. (2013). "TiO2-doped resorcinol–formaldehyde (RF) polymer and carbon gels with photocatalytic activity". https://doi.org/10.2478/nanome-2013-0001
Go to full study ↗
[4]OpenAlex2012
Isoprene emissions in Africa inferred from OMI observations of formaldehyde columns
Eloïse A. Marais, Daniel J. Jacob, T. P. Kurosu et al.. (2012). "Isoprene emissions in Africa inferred from OMI observations of formaldehyde columns". Atmospheric chemistry and physics. https://doi.or
Go to full study ↗
[5]Core2012
Formaldehyde 50-00-0
(2012). "Formaldehyde 50-00-0". https://doi.org/10.1002/0471701343.sdp12723.pub2
Go to full study ↗
[6]Molgod Data Citations:crossref2011
NIOSH skin notation (SK) profile: formaldehyde/formalin [CAS No. 50-00-0].
(2011). "NIOSH skin notation (SK) profile: formaldehyde/formalin [CAS No. 50-00-0].". https://doi.org/10.26616/nioshpub2011145
Go to full study ↗
[7]Core2010
Sol-gel based sensor for selective formaldehyde determination
Kanatharana, Proespichaya, Thavarungkul, Panote, Higson, Seamus P. J. et al.. (2010). "Sol-gel based sensor for selective formaldehyde determination". https://doi.org/10.1016/j.aca.2009.11.034
Go to full study ↗
[8]OpenAlex2010
Cancer effects of formaldehyde: a proposal for an indoor air guideline value
Gunnar Damgård Nielsen, Peder Wolkoff. (2010). "Cancer effects of formaldehyde: a proposal for an indoor air guideline value". Archives of Toxicology. https://doi.org/10.1007/s00204-010-0549-1
Go to full study ↗
📚 Scientific references (Chicago Author-Date) 19 refs · 5 baz

MOLEKUŁA Per-CAS bibliography (live from 13+ databases)

Sources: db:Europe PMC (1) · db:openalex (12) · db:core (5) · db:molgod_data_citations:crossref (1)

  1. db:Europe PMC (2025). "Formaldehyde and its surrogates as a C1 platform for defossilised modern societies.". https://doi.org/10.1039/d5cs00882d →
  2. db:openalex Nathan H. Chen, Karrera Y. Djoko, Frédéric J. Veyrier et al.. (2016). "Formaldehyde Stress Responses in Bacterial Pathogens". Frontiers in Microbiology. https://doi.org/10.3389/fmicb.2016.00257 →
  3. db:core Geissler, Erik, Szilagyi, Imre, M., Czakkel, O. et al.. (2013). "TiO2-doped resorcinol–formaldehyde (RF) polymer and carbon gels with photocatalytic activity". https://doi.org/10.2478/nanome-2013-0001 →
  4. db:openalex Eloïse A. Marais, Daniel J. Jacob, T. P. Kurosu et al.. (2012). "Isoprene emissions in Africa inferred from OMI observations of formaldehyde columns". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-12-6219-2012 →
  5. db:core (2012). "Formaldehyde 50-00-0". https://doi.org/10.1002/0471701343.sdp12723.pub2 →
  6. db:molgod_data_citations:crossref (2011). "NIOSH skin notation (SK) profile: formaldehyde/formalin [CAS No. 50-00-0].". https://doi.org/10.26616/nioshpub2011145 →
  7. db:core Kanatharana, Proespichaya, Thavarungkul, Panote, Higson, Seamus P. J. et al.. (2010). "Sol-gel based sensor for selective formaldehyde determination". https://doi.org/10.1016/j.aca.2009.11.034 →
  8. db:openalex Gunnar Damgård Nielsen, Peder Wolkoff. (2010). "Cancer effects of formaldehyde: a proposal for an indoor air guideline value". Archives of Toxicology. https://doi.org/10.1007/s00204-010-0549-1 →
  9. db:openalex Susana Viegas, Carina Ladeira, Carla Nunes et al.. (2010). "Genotoxic effects in occupational exposure to formaldehyde: A study in anatomy and pathology laboratories and formaldehyde-resins production". Journal of Occupational Medicine and Toxicology. https://doi.org/10.1186/1745-6673-5-25 →
  10. db:openalex Anton C. de Groot, Mari‐Ann Flyvholm, Gerda Lensen et al.. (2009). "Formaldehyde‐releasers: relationship to formaldehyde contact allergy. Contact allergy to formaldehyde and inventory of formaldehyde‐releasers". Contact Dermatitis. https://doi.org/10.1111/j.1600-0536.2009.01582.x →
  11. db:openalex Michael Hauptmann, Patricia A. Stewart, Jay H. Lubin et al.. (2009). "Mortality From Lymphohematopoietic Malignancies and Brain Cancer Among Embalmers Exposed to Formaldehyde". JNCI Journal of the National Cancer Institute. https://doi.org/10.1093/jnci/djp416 →
  12. db:openalex T. Stavrakou, Jean‐François Müller, Isabelle De Smedt et al.. (2009). "Evaluating the performance of pyrogenic and biogenic emission inventories against one decade of space-based formaldehyde columns". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-9-1037-2009 →
  13. db:openalex T. Stavrakou, Jean‐François Müller, Isabelle De Smedt et al.. (2009). "Global emissions of non-methane hydrocarbons deduced from SCIAMACHY formaldehyde columns through 2003–2006". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-9-3663-2009 →
  14. db:openalex A. Heckel, Andreas Richter, T. Tarsu et al.. (2005). "MAX-DOAS measurements of formaldehyde in the Po-Valley". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-5-909-2005 →
  15. db:openalex Eric Brown, Michael R. Kessler, Nancy R. Sottos et al.. (2003). "In situ poly(urea-formaldehyde) microencapsulation of dicyclopentadiene". Journal of Microencapsulation. https://doi.org/10.1080/0265204031000154160 →
  16. db:core Chance, K., Daniel J. Jacob, Palmer, P. I. et al.. (2000). "Satellite observations of formaldehyde over North America from GOME". https://doi.org/10.1029/2000gl011857 →
  17. db:openalex Sherwood Burge, M G Harries, W.K. Lam et al.. (1985). "Occupational asthma due to formaldehyde.". Thorax. https://doi.org/10.1136/thx.40.4.255 →
  18. db:openalex John D. Goddard, Henry F. Schaefer. (1979). "The photodissociation of formaldehyde: Potential energy surface features". The Journal of Chemical Physics. https://doi.org/10.1063/1.437353 →
  19. db:core (0). "ToxFAQs for formaldehyde".
📊 Physicochemical properties

Quick Reference

Formula: CH2O
MW: 30.03 g/mol
CAS: 50-00-0
Appearance: Nearly colorless gas [Note: Often used in an aqueous solution]. /Pure formaldehyde/
Odour: Pungent, suffocating odor
Odour: Pungent, suffocating odor

Detailed Properties

Property Value Unit Conditions Source
Density (ρ) 0.8153 g/cm³ -20 °C (-4 °F) CRC Handbook 105th ed. (Haynes 2024)
Melting Point (mp) -92.00 °C (-133.6 °F) 1 atm CRC Handbook 105th ed. (Haynes 2024)
Boiling Point (bp) -19.00 °C (-2.2 °F) 1 atm CRC Handbook 105th ed. (Haynes 2024)
Flash Point 60.00 °C (140 °F) closed cup CRC Handbook 105th ed. (Haynes 2024)
Vapor Pressure 3886.000 mmHg 25 °C (77 °F) CRC Handbook 105th ed. (Haynes 2024)
Water Solubility 400.000 g/L 20 °C (68 °F) CRC Handbook 105th ed. (Haynes 2024)
Refractive Index (nD) 1.3746 20 °C (68 °F), D-line CRC Handbook 105th ed. (Haynes 2024)
pKa 13.270 25 °C (77 °F) CRC Handbook 105th ed. (Haynes 2024)
🔬 Advanced Properties
Dielectric Constant (ε) 13.300 25°C

Chemical Identifiers

SMILES: C=O

Data sources: PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)

Last updated: 2026-06-30

Regulatory status of the substance
Inventories: US/TSCA, CA/DSL_TOXIC, AU/AICS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry CalculatorMolGod_STOICH_1
🔍 External identifiersMolGod_EXTID_1
14 of 16 ID systems88%
DatabaseIdentifierActions
CAS Registry Number50-00-0Open →
PubChem CID712Open →
InChIKeyWSFSSNUMVMOOMR-UHFFFAOYSA-NOpen →
InChIInChI=1S/CH2O/c1-2/h1H2
SMILESC=O
EC Number200-001-8Open →
DrugBankDB03843Open →
KEGG CompoundD00017Open →
HMDBHMDB0001426Open →
ChemSpider692Open →
MeSH UID (NLM)D005557Open →
UNII (FDA)1HG84L3525Open →
NSC Number (NCI)298885Open →
WikiData QIDQ161210Open →

Sources: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📡 Spectroscopy — CAS 50-00-0MolGod_SPECHUB_MAIN
📊 Spectra (NMR, IR, MS, UV-Vis) (1)

Available spectrum types: IR

IR spectrum (KBr, 4000-400 cm⁻¹)

447 data points · Source: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
📋 Peak assignment table
Type Position Intensity Assignment
IR 587.64 0.7 —
IR 595.05 0.7 —
IR 602.47 0.7 —
IR 609.89 0.7 —
IR 617.31 0.7 —
IR 624.73 0.7 —
IR 632.15 0.8 —
IR 639.57 0.8 —
IR 646.99 0.9 —
IR 654.41 0.9 —
IR 661.82 0.9 —
IR 669.24 0.9 —
IR 676.66 1 —
IR 684.08 1 —
IR 691.5 1 —
IR 698.92 1 —
IR 706.34 1 —
IR 713.76 1 —
IR 721.18 1 —
IR 728.59 1 —
🎓 Spectrum interpretation guide (for students)
How to read an IR spectrum
  • 3200-3600 cm⁻¹ — O-H stretch (broad peak = hydrogen bonding)
  • 2850-3000 cm⁻¹ — C-H stretch (sp³)
  • 1650-1750 cm⁻¹ — C=O stretch (ketones, aldehydes, esters)
  • 1400-1600 cm⁻¹ — aromatic ring vibrations
  • 1000-1300 cm⁻¹ — C-O stretch (ethers, alcohols)
  • No absorption = no functional group → compare with a reference

Sources: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Scientific references (Chicago Author-Date) (9 sources)

📚 The book bibliography is awaiting generation. Curated general textbooks are available below; CAS-specific Google Books can be fetched from the admin panel.

  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. 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 ↗]
  4. 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 ↗]
  5. 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. ↗
  6. 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 ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
📐 Physical & Chemical Properties (DB) 13 fields MolGod Score: Primary
Property Value Unit Conditions Source
Melting point -92.00 [1][6][11] °C 1 atm CRC Handbook 105th ed. (Haynes 2024)
Boiling point -19.00 [1][6][11] °C 760 mmHg CRC Handbook 105th ed. (Haynes 2024)
Water solubility 400.000 [1] g/L 20°C CRC Handbook 105th ed. (Haynes 2024)
Density (ρ) 0.8153 [1] g/cm³ -20°C CRC Handbook 105th ed. (Haynes 2024)
Refractive index (n_D) 1.3746 [1] — 20°C, sodium D CRC Handbook 105th ed. (Haynes 2024)
Vapor pressure 3886.000 [1] mmHg 25°C CRC Handbook 105th ed. (Haynes 2024)
Flash point 60.00 [1] °C closed cup CRC Handbook 105th ed. (Haynes 2024)
Autoignition temperature 424.00 [1] °C in air CRC Handbook 105th ed. (Haynes 2024)
UV λmax 270 [1][2] nm water/MeOH CRC Handbook 105th ed. (Haynes 2024)
UV εmax 19 [1][2] M⁻¹·cm⁻¹ at λmax CRC Handbook 105th ed. (Haynes 2024)
pKa₁ 13.270 [1][2][10] — 25°C CRC Handbook 105th ed. (Haynes 2024)
logP (octanol/water) 0.350 [1][8][9] — 25°C CRC Handbook 105th ed. (Haynes 2024)
Dielectric constant (ε) 13.300 [1] — 25°C CRC Handbook 105th ed. (Haynes 2024)
📚 Scientific references (Chicago Author-Date) (12 sources)
  1. 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. ↗
  2. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  3. Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
  4. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
  5. Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
  6. Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
  7. Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
  8. 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. ↗
  9. 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.
  10. Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
  11. Ertl, Peter, Bernhard Rohde, and Paul Selzer. 2000. "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties." Journal of Medicinal Chemistry 43 (20): 3714–3717. ↗
🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Formaldehyde concentration in any unit — the rest will be calculated automatically.

MW: 30.026 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen 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)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%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 ↔ molarityc (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 ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen 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 ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliography (8 authoritative sources)
  1. 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
  2. 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
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. 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
  6. 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)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. 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
🧪 Solution Preparation Wizard WIZARD MolGod_PREP_1
① Select concentration
② Target volume
③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

Solvent compatibilityMolGod_SOLV_1

Estimate based on water solubility and logP. Indicative data — does not replace experimental studies.

SolventCompatibilityNotesReferences
Water~ ModerateModerate logP
EtOH+ GoodEtOH — universal polar solvent
Acetone+ GoodAcetone — good for moderately polar compounds
DCM+ GoodDCM — good for nonpolar compounds
DMSO+ GoodDMSO — strong aprotic solvent
THF+ GoodTHF — broad solubility range
Hexane- PoorPoor solubility in hexane
CHCl3+ GoodCHCl3 — good for moderately polar and nonpolar compounds

Data sources for logP/solubility: logP: 1.20

📚 Scientific references for solvents (Chicago Author-Date) — click to expand

Each solvent is supported by 5 independent scientific sources (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS). Full citations below.

Water · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. 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 ↗]
  3. 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 ↗]
  4. 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 ↗]
  5. IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
EtOH · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. 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 ↗]
  3. 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 ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
  5. IFA. n.d. "Ethanol." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Acetone · NIST CAS lookup ↗
  1. 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 ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Acetone." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DCM · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Dichloromethane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DMSO · NIST CAS lookup ↗
  1. Wypych, George. 2019. Handbook of Solvents. Volume 1: Properties. 3rd ed. Toronto: ChemTec Publishing. https://doi.org/10.1016/C2018-0-02235-3. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. National Institute of Standards and Technology. n.d. "Methane, sulfinylbis- (CAS 67-68-5)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  5. IFA. n.d. "Dimethyl sulfoxide." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
THF · NIST CAS lookup ↗
  1. 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 ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Tetrahydrofuran." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Hexane · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
  4. Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
  5. IFA. n.d. "n-Hexane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
CHCl3 · NIST CAS lookup ↗
  1. International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
  2. National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Chloroform." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Solubility theory (applied in compatibility prediction):
  1. 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).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  3. 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.
  4. 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.
  5. PubChem Compound Database — CAS 50-00-0 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

🔬 Purity Check Guide Quality control

Verify reagent purity using standardized analytical methods. Select a test method below and enter your measurement results for automated calculation.

🛡️ Safety — CAS 50-00-0MolGod_SAFEHUB_MAIN
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS05 — Corrosive
GHS05 Corrosive
GHS06 — Toxic
GHS06 Toxic
GHS07 — Irritant / harmful
GHS07 Irritant / harmful
GHS08 — Health hazard
GHS08 Health hazard

🚨 Hazard statements (H)

  • H350 — May cause cancer
  • H341 — Suspected of causing genetic defects
  • H330 — Fatal if inhaled
  • H302 — Harmful if swallowed
  • H314 — Causes severe skin burns and eye damage
  • H317 — May cause an allergic skin reaction
  • H335 — May cause respiratory irritation

🛡 Precautionary statements (P)

  • P203 — Obtain, read and follow all safety instructions before use
  • P260 — Do not breathe dust/fume/gas/mist/vapours/spray

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 605-001-00-5.

Reference (Chicago): European Chemicals Agency. "formaldehyde … %, Index No. 605-001-00-5." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress. Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — Group 1: carcinogenic to humans. (Independent assessment of carcinogenicity evidence by IARC/WHO — supplements the CLP classification above.)
Reference (Chicago): IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 50-00-0. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/. (Accessed 2026-11-12.)

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 50-00-0 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulations
  2. 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
  3. 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
  4. 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
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Source: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Buffer Recipe Calculator UNIQUE
References: pKa values from Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)
🚚 Transport classification (ADR / IATA / IMDG) UN2209
UN Number
UN2209
FORMALDEHYDE SOLUTION
Corrosive Sensitizer

🛣️ ADR Road Transport

Class:
8
Packing Group:
III
Shipping name:
FORMALDEHYDE SOLUTION
Tunnel Code:
(E)
Limited Quantity (L):
5

✈️ IATA Air Transport

Class:
8
Packing instructions:
852 / 856
Max quantity (PAX):
5 L
Max quantity (CAO):
60 L

🚢 IMDG Sea Transport

Class:
8
EmS Code:
F-A, S-B

Sources: ADR 2025 ↗ · IATA DGR ↗ · IMDG Code ↗

🔬 HPLC/GC methods (3 methods)
📄
Bioactive Phytocompound Profiling and the Evaluation of Antioxidant, Antihyperglycemic, and Antimicrobial Activities of Medicinal Plants from Serbian Traditional Medicine
HPLCMolecules202693% ✓CC-BYResearch method (specificity, robustness)
Column: C18, 250 x 4.6 mm, 0.45 μm
Phase: mobile phase, and filtered through a 0
Detection: UV 740 nm
Flow: 1.00 mL/min
Temp.: 70.0 °C
Inj.: 250 μL
Gradient: profile going from 10% to 25% A from 0 to…
Aćimović M, Vučetić A, Vulić J, Ranitović A, Marić T, Travičić V, et al. Bioactive Phytocompound Profiling and the Evaluation of Antioxidant, Antihyperglycemic, and Antimicrobial Activities of Medicinal Plants from Serbian Traditional Medicine. Molecules. 2026;31:197. doi:10.3390/molecules31010197
🔗 DOI🏠 PMC📚 PubMed📄 PDF
Medicinal plants represent an important source of bioactive compounds whose composition and biological activity are strongly influenced by geographical origin and extraction conditions. In this study, six medicinal plants traditionally used in south-eastern Serbia (Galium verum, Filipendula vulgaris, Lythrum salicaria, Sideritis montana, Teucrium chamaedrys, and Teucrium montanum) were investigated for their phytochemical composition and antioxidant, antihyperglycemic, and antimicrobial activities. Aqueous and 40% ethanol extracts were prepared and analyzed for total phenolic content (TPC) and total flavonoid content (TFC), followed by HPLC-DAD profiling of individual polyphenolic compounds. Antioxidant activity was assessed using DPPH, ABTS, and reducing power assays, antihyperglycemic activity by α-glucosidase inhibition, and antimicrobial activity by the microdilution method against selected bacterial and fungal strains. L. salicaria exhibited the highest TPC (113.56–119.09 mg GAE/g DW), while F. vulgaris showed the highest TFC (65.74–66.31 mg RE/g DW). HPLC analysis revealed notable levels of ferulic acid in L. salicaria ethanol extract (39.12 mg/g DW), as well as rutin, luteolin, and myricetin in several species. Ethanol extracts generally demonstrated stronger antioxidant activity, with L. salicaria showing the highest DPPH (378.60 µM TE/g) and reducing power (684.06 µM TE/g), while its aqueous extract exhibited the highest ABTS activity (3621.93 µM TE/g). Strong antihyperglycemic activity was observed for F. vulgaris extracts (100% α-glucosidase inhibition). Antimicrobial assays revealed higher sensitivity of Gram-positive bacteria, particularly Listeria monocytogenes and Staphylococcus aureus, with F. vulgaris and L. salicaria extracts showing the strongest effects. These findings highlight the significant influence of plant species and extraction solvent on bioactivity and support the potential of selected Serbian medicinal plants as sources of multifunctio...
📄
Determination of donepezil in spiked rabbit plasma by high-performance liquid chromatography with fluorescence detection
HPLCRoyal Society Open Science201991% ✓CC-BYResearch method (specificity, robustness)
Column: C18, 150 x 4.6 mm, 5 μm
Phase: Mobile phase consisted of methanol: 0
Detection: UV 269 nm
Flow: 1.00 mL/min
Temp.: 10.0 °C
Mohamed F, Khashaba P, Shahin R, El-Wekil M. Determination of donepezil in spiked rabbit plasma by high-performance liquid chromatography with fluorescence detection. Royal Society Open Science. 2019;6:181476. doi:10.1098/rsos.181476
🔗 DOI🏠 PMC📚 PubMed📄 PDF
The aim of this paper is to develop sensitive, accurate, reproducible and robust RP-HPLC with fluorescence detection for estimation of donepezil (DZ) in rabbit plasma using silodosin as the internal standard (IS). The prepared samples were quantified on reversed phase column Luna C18(2) (150 × 4.6 mm i.d., 5 µm particle size) operated at room temperature using the mobile phase consisting of methanol: 0.1% acetic acid (50 : 50, v/v) at a flow rate of 1 ml min−1. The method was fully validated according to bioanalytical validation guidelines of FDA in terms of system suitability, selectivity, sensitivity, precision and stability. It was found that the increase in peak areas followed the increase of DZ concentration in the range of 2.56–200.00 ng ml−1 with LOD of 0.85 ng ml−1. The method was successfully applied for the determination of DZ in rabbit plasma using manual shaking dispersive liquid–liquid microextraction.
donepezilRP-HPLC-fluorescence detectionsilodosindispersive liquid–liquid microextractionstability studies
📄
Fingerprint Analysis and Quantitative Determination of Fourteen Active Components in the Traditional Chinese Medicinal Preparation Feiyangchangweiyan Capsule by HPLC-DAD-ESI-MS/MS
HPLCIranian Journal of Pharmaceutical Research201990% ✓CC-BYResearch method (specificity)
Column: C18, 0.22 μm
Phase: mobile phase included (A): methanol and (B): 2% glacial acetic acid aqueous…
Detection: UV 280 nm
Temp.: 40.0 °C
Inj.: 20 μL
Gradient: elution (0–10 min, 5% A; 10–30 min, 5–20% A; 30–50…
Zhou D, Yang Q, Yu Z, Chang Y, Tian T, Shi Z, et al. Fingerprint Analysis and Quantitative Determination of Fourteen Active Components in the Traditional Chinese Medicinal Preparation Feiyangchangweiyan Capsule by HPLC-DAD-ESI-MS/MS. Iranian Journal of Pharmaceutical Research : IJPR. 2019;18:948-960. doi:10.22037/ijpr.2019.1100649
🔗 DOI🏠 PMC📚 PubMed📄 PDF
FeiYangchangweiyan capsule (FY capsule), a traditional Chinese medicinal preparation consisting of three medicinal herbs, has been used to treat bacterial dysentery, acute, and chronic gastroenteritis for several decades. In this study, a novel, convenient, accurate, and valid method was developed by using high-performance liquid chromatography (HPLC) coupled with diode array detection (DAD) to obtain a chromatographic fingerprint of FeiYangchangweiyan capsule (FY capsule). Then, fourteen peaks were identified according to MS/MS fragmentation behavior of the reference standards by using HPLC-DAD-ESI-MS/MS analysis. At the same time, the fingerprint similarity was calculated and the contents of known ingredients were also determined simultaneously. The result demonstrated that the HPLC fingerprint combining similarity evaluation and quantification analysis can be successfully applied to control the quality of FY capsule.
HPLC-DAD-ESI-MS/MSQuantitative analysisTraditional Chinese medicinechangweiyan capsuleFingerprint
📈 Method Validation (ICH Q2)

No validation data. Contact the method author.

Parameters per: ICH Q2(R2) ↗

📋 Method comparison
Technique Column Analysis time Detection Mobile phase Source
HPLC C18 — UV 740 nm mobile phase, and filtered through a 0 DOI ↗
HPLC C18 — UV 269 nm Mobile phase consisted of methanol: 0 DOI ↗
HPLC C18 — UV 280 nm mobile phase included (A): methanol and (B): 2%… DOI ↗
🔧 Troubleshooting HPLC/GC
Broad peaks / tailing
Causes: Worn column, wrong mobile-phase pH, column overload, dead volume
Solution: Replace the column, check buffer pH (±0.2), reduce injection volume, check fittings
Baseline drift
Causes: Contaminated mobile phase, gradient issues, unstable temperature
Solution: Degas the phase, filter 0.22 µm, stabilise column temperature, flush the system
No peak
Causes: Wrong wavelength, analyte does not elute, thermal decomposition, wrong phase
Solution: Check λmax, extend the gradient, lower the temperature, change the mobile phase
Ghost peaks
Causes: System contamination, carry-over, contaminated vials
Solution: Clean the system (MeOH/H₂O), use new vials, inject a blank
Low recovery
Causes: Adsorption to walls, insufficient extraction, decomposition
Solution: Add IS, silanise glassware, optimise extraction, check stability

Sources: Snyder, Kirkland & Dolan ↗, Waters ↗

📊 HPLC method validation (ICH Q2(R1)) PARTIAL

3 metrics need experimental data

Parameter Value Unit ICH Q2 criterion Status
Linearity (R²) no data unitless R² ≥ 0.999 (≥0.99 for bioanalytical) —
LOD (S/N = 3:1) no data ng/mL S/N ≥ 3:1 (lowest detectable concentration) —
LOQ (S/N = 10:1) no data ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD typically) —
Precision (RSD intraday, n=6) no data % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) for the API —
Accuracy (recovery, 3 levels) no data % (target 100±2%) Recovery 98-102% (target 100%) —
Linearity range no data e.g. 0.1-100 ng/mL Min. 80-120% of the nominal concentration —
Selectivity/Specificity no data qualitative No interference — analyte peak fully resolved (Rs ≥ 2.0) —
Robustness no data RSD < 2% at ±5% variation RSD < 2% under small parameter variations —
Legend: ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Scientific references (Chicago Author-Date) — click to expand

Analytical method validation standards — 4 independent sources (ICH + USP + AOAC + Snyder).

  1. 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
  2. United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
  3. AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
  4. 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
  5. 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).
  6. 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.
  7. 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.
  8. 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.
  9. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
  10. 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).
  11. 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.

· ⚠ SVHC/REACH regulatory warnings ↑

🔧 HPLC troubleshooting — decision tree 6 common problems

Diagnostics for the 12 most common HPLC problems with a decision tree (5 steps per problem). Source: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Broad peaks medium

Symptom: All peaks on the chromatogram are wider than expected (FWHM > 2× normal)

🔍 Diagnostic tree:
  1. 1. Check whether all peaks are broadened or only some
    → YES: All → instrumental problem (column or system)
    → NO: Only some → chemistry problem (interaction with the column for specific analytes)
  2. 2. Swap in a test column — does the problem disappear?
    → YES: COLUMN worn out — packing damaged, void in the first few mm. Replace it.
    → NO: Problem in the LC system
  3. 3. Check the dead volume — injection loop, connections, detector
    → YES: Loop > 100 µL for a 4.6 mm column or loose connections → replace ferrules, shorten tubing
    → NO: Continue diagnostics
  4. 4. Temperature test: raise the column from 25°C to 40°C
    → YES: Narrower peaks → mass-transfer kinetics too slow (increase T)
    → NO: Continue
  5. 5. Check flow rate vs the optimal van Deemter value for this column
    → YES: Optimum for 4.6mm/5µm = 1.0 mL/min, for 2.1mm/3µm = 0.4 mL/min
    → NO: Continue
⚠️ Common causes:
  • Column worn out (>2000 injections without a guard)
  • System dead volume > 100 µL (wrong loop, long tubing, loose ferrules)
  • Temperature too low (mass-transfer kinetics)
  • Flow rate outside the van Deemter optimum
  • Sample solvent stronger than mobile phase A
✓ Fixes:
  • ✓ Replace the column (when >2000 injections)
  • ✓ Check all connections — keep tubing as short as possible
  • ✓ Increase column T to 40°C (if the substance is stable)
  • ✓ Reduce flow to the van Deemter optimum
  • ✓ Dissolve the sample in mobile phase A (not in pure organic)
Peak tailing (T > 1.5) high

Symptom: Peaks have an extended "tail" on the late-elution side (asymmetry T = b/a > 1.5 per USP)

🔍 Diagnostic tree:
  1. 1. Does the substance contain basic groups (amino, pyridine)?
    → YES: Yes → silanol interactions! Add 0.1% TFA or 5-10 mM TEA to mobile phase A.
    → NO: Continue
  2. 2. Check the mobile-phase pH vs the substance pKa
    → YES: pH = pKa ± 1 → partial ionization, peak split. Move pH ≥ 2 units away from pKa.
    → NO: Continue
  3. 3. Check the column age (>1500 injections?)
    → YES: Yes → exposed silanols (column bleed). Replace with a column with higher endcapping (XTerra, Symmetry).
    → NO: Continue
  4. 4. Does the sample contain metals (Fe, Cu from glass vials)?
    → YES: Yes → use type II clear vials or PFA. Add 0.1mM EDTA to the sample.
    → NO: Continue
⚠️ Common causes:
  • Silanol interactions (basic analyte + silica gel free silanols)
  • pH at the boundary of the analyte pKa (peak split)
  • Old column (column bleed, high silanol activity)
  • Metals in the sample (chelation → tailing)
  • Column overload (>50 µg on a 4.6mm column)
✓ Fixes:
  • ✓ Add 0.1% TFA (UV) or 0.1% formic acid (LC-MS) to mobile phase A
  • ✓ Choose a column with high-purity endcapping: Waters XBridge BEH, Phenomenex Kinetex
  • ✓ Work at pH ≥ 2 units away from pKa
  • ✓ Add 0.1mM EDTA to the sample (Fe/Cu chelation)
  • ✓ Reduce the injection volume to ≤ 20 µL for a 4.6mm column
Baseline drift medium

Symptom: The baseline rises or falls systematically for >5 minutes

🔍 Diagnostic tree:
  1. 1. Are you running a gradient (B% increasing)?
    → YES: Yes → different absorption of phases A vs B at dλ. Solvent change in UV cutoff. Check the % organic UV absorbance.
    → NO: Continue (isocratic)
  2. 2. Check the column temperature — is it stable to ±0.5°C?
    → YES: Yes (stable) → continue
    → NO: Unstable → turn on the column thermostat (>25°C controlled)
  3. 3. Test: turn off the autosampler, run pump+column+detector alone
    → YES: Drift disappears → autosampler contamination (clean the needle, septum)
    → NO: Continue
  4. 4. Check the lamp age (D2 for UV)
    → YES: Yes (>1500 hours) → replace the lamp
    → NO: Continue
⚠️ Common causes:
  • Gradient elution with different UV cutoff of the phases
  • Unstable column T
  • Autosampler contamination of the needle/septum
  • Old UV lamp (>1500h)
  • Detector flow cell fouled
  • Column not equilibrated (<10 column volumes)
✓ Fixes:
  • ✓ Pre-equilibrate the column for 10-15 column volumes at 100% A
  • ✓ Column thermostat on, T 30-40°C stable
  • ✓ Clean the detector flow cell with 50:50 ACN:H2O
  • ✓ Replace the D2 lamp if >1500h
  • ✓ Use baseline subtraction (Chromeleon, Empower native function)
No peak / lost peak critical

Symptom: The expected analyte peak does not appear on the chromatogram

🔍 Diagnostic tree:
  1. 1. Did the injection actually take place?
    → YES: Check the autosampler log, pump pressure (should drop during injection)
    → NO: Autosampler problem → check the loop, needle, sample in the vial
  2. 2. Is the sample in the vial (correct volume, not evaporated)?
    → YES: Continue
    → NO: No sample — re-pipette
  3. 3. Sample stability — prepared >24h ago?
    → YES: Yes → degradation. Re-prepare a fresh sample.
    → NO: Continue
  4. 4. Check the detection wavelength vs the substance λmax
    → YES: Detection at λ does NOT match λmax → no signal. Scan DAD 200-400nm.
    → NO: Continue
  5. 5. Test: inject a pure standard (of known concentration, fresh)
    → YES: The standard gives a peak → problem with the sample (matrix, derivatization)
    → NO: No peak even with the standard → system problem (column, phase, gradient)
⚠️ Common causes:
  • Sample not drawn from the vial (autosampler bug)
  • Sample degraded (>24h pH/temp/light)
  • Detection at the wrong wavelength
  • Wrong mobile phase (e.g. forgotten TFA)
  • Column reversed / wrong stationary phase
  • Substance elutes at the front (V0) → unretained, not visible
✓ Fixes:
  • ✓ Re-prepare a fresh sample per the exact protocol
  • ✓ UV-Vis DAD scan 200-400nm + search for λmax
  • ✓ Check the mobile-phase composition — was TFA added?
  • ✓ Test the reverse column direction (carefully!)
  • ✓ For retention <1 min — lower the % B, MeOH instead of ACN
  • ✓ Check the "expected_rt" table in wp_molgod_hplc_methods
Pressure too high critical

Symptom: Pump pressure > 80% of the column max or system shutdown with a high-pressure error

🔍 Diagnostic tree:
  1. 1. Check that the column is connected correctly (arrow direction)
    → YES: OK
    → NO: Column reversed → flip it (never run it "backwards")
  2. 2. Test: remove the column from the system, run pump+detector alone
    → YES: Pressure drops to <50 bar → problem in the column (clogged)
    → NO: Pressure stays high → in-line filter clogged, frit fouled
  3. 3. Check the pre-column filter (in-line frit)
    → YES: Fouled and brown → replace it
    → NO: Continue
  4. 4. Back-flush the column with 50:50 ACN:H2O without the column — does it disappear?
    → YES: Particles stuck in the first mm — a 30 min flush may recover it
    → NO: Replace the column
⚠️ Common causes:
  • In-line filter (frit) clogged with particles
  • Buffer salting out (precipitation at high %B)
  • Sample contains suspended matter (filter 0.22 µm before injection)
  • Column clogged (column bed compaction)
  • Gradient with a buffer phase + high organic → salt precipitation
✓ Fixes:
  • ✓ ALWAYS filter the sample through 0.22 µm PVDF before injection
  • ✓ Replace the in-line filter every 100 injections (or when pressure rises >20%)
  • ✓ Do NOT use >20mM phosphate buffer + >70% ACN (the salt precipitates)
  • ✓ Flush the column for 30 min with 50:50 ACN:H2O in the reverse direction (when the manufacturer allows it)
  • ✓ Pre-column 4×3mm to protect the main column
Ghost peaks high

Symptom: Unexplained peaks on the chromatogram absent from the calibration

🔍 Diagnostic tree:
  1. 1. Test: blank injection (pure sample solvent)
    → YES: A ghost appears → contamination of the system or eluents
    → NO: Appears only with the sample → matrix
  2. 2. Does the ghost grow with the gradient (elutes at high %B)?
    → YES: Yes → overloaded column or strong-retained from a previous run
    → NO: Independent of the gradient → autosampler carryover
  3. 3. Increase carryover wash (between injections)
    → YES: Helps → carryover was to blame. Use a stronger wash protocol.
    → NO: Continue
  4. 4. Pure water injection — is there a peak?
    → YES: Yes → contamination of the water source (organics from the DI system)
    → NO: Continue
⚠️ Common causes:
  • Carryover in the autosampler needle/loop
  • Eluent contamination (even HPLC-grade)
  • Strong-retained components from previous runs
  • Plastic in the vials (phthalates, PEG from the caps)
  • Insufficiently purified DI water
✓ Fixes:
  • ✓ Strengthen the wash protocol: 100% B → 100% A → 50:50 (3 cycles)
  • ✓ Strong wash: 100% DMSO or 100% MeOH before calibration
  • ✓ Filter the eluents through 0.22 µm PTFE if in doubt
  • ✓ Use amber glass + Teflon-lined caps for samples
  • ✓ Periodic gradient ramp to 100% B for 10 min (clean-out)
📚 Scientific references (Chicago Author-Date) — click to expand
  1. 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 ↗]
  2. Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
  3. 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
  4. Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
  5. 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).
  6. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — Solid step-by-step problem isolation chapter (eluents, columns, instruments).
  7. 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.
  8. 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).
  9. 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).
  10. 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).
  11. 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 ↗]
  12. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. 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 ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. Probabilistic approach to peak deconvolution in chromatography. 8525-8531. https://doi.org/10.1021/ac101742z [link ↗]
🧪 Solubility and solvent compatibility MolGod_SOLUB_1
Molecule
Formaldehyde
Formula
CH2O
logP
1.20
Mass (g/mol)
30.026
Polarity
Moderate

⚠️ GC estimate (Hoftyzer–Van Krevelen). No literature HSP data for this CAS — precision ±2 MPa½. Verify experimentally.

Solvent Compat. Ra Visual GC-MS HPLC Applications References
Water (H₂O)− Poor42.9
✗ NieA (aqueous) (RP)
buffercell cultureanalyticalhydrophilic extraction
Ethanol (EtOH)− Poor22.1
✗ NieA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)− Poor23.5
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone~ Avg.11.5
✗ NieB modifier (NP)
GC headspacecrystallizationdegreasingsynthesis
Acetonitrile (ACN)~ Avg.9.1
✗ NieB (RP) (RP)
HPLC eluent (gold standard)LC-MS (wolny cut-off UV 190 nm)peptide analysis
DMSO− Poor16.4
✗ NieN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF− Poor16.4
✗ NieB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallic
DCM (CH₂Cl₂)− Poor17.1
✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScrystallization (anti-solvent)
Chloroform (CHCl₃)− Poor18.5
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane− Poor17.3
✓ TakA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene− Poor19.2
✓ TakB (NP) (NP)
NMR (d8-toluene)synthesisDean-Stark azeotropic drying
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

11 solvents × 5 independent scientific sources (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS). 55+ full citations below.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Solubility theory (applied in compatibility prediction):
  1. 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).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  3. 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
  4. 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.
  5. 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.
  6. 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.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 50-00-0 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

📚 Technical FAQ — Formaldehyde (5) MolGod_TECHFAQ_1
❓ Jak przygotować roztwór standardowy formaldehydu o stężeniu 0,1 mol/L?
Aby przygotować roztwór standardowy formaldehydu (CAS 50-00-0) o stężeniu 0,1 mol/L: 1. Oblicz masę potrzebnego formaldehydu: n = C × V = 0,1 mol/L × 1 L = 0,1 mola. Masa = n × MM = 0,1 mol × 30,026 g/mol = 3,0026 g. 2. Odmierz 3,0026 g formaldehydu i rozpuść w minimalnej ilości wody destylowanej. 3. Uzupełnij do objętości 1 L wodą destylowaną.
Helpful?
❓ W jakich warunkach należy przechowywać formaldehyd (CAS 50-00-0)?
Formaldehyd należy przechowywać: 1. W temperaturze 15-25°C. 2. Z dala od światła słonecznego i silnych utleniaczy. 3. Wilgotność względna powinna być niska (<60%). 4. W szczelnie zamkniętych pojemnikach z tworzywa odpornego na formaldehyd (np. HDPE lub szkło borokrzemianowe).
Helpful?
❓ Jaka metoda analityczna jest najlepsza do oznaczania stężenia formaldehydu w roztworze?
Dla formaldehydu (MW 30.026 g/mol, logP nieznany) zaleca się: 1. Chromatografię gazową (GC) z detektorem płomieniowo-jonizacyjnym (FID) lub spektrometrią mas (MS) - optymalna dla niskich stężeń i czystych próbek. 2. Wysokosprawną chromatografię cieczową (HPLC) z detektorem UV przy 280 nm - gdy próbki są złożone lub zawierają inhibitory GC.
Helpful?
❓ Jakie reakcje i niezgodności chemiczne wykazuje formaldehyd?
Formaldehyd (CH2O) jest: 1. Silnym środkiem utleniającym - reaguje gwałtownie z reduktorami (np. NaBH4, Sn/HCl). 2. Reaguje z aminami tworząc amidy. 3. Niezgodny z: kwasami organicznymi, silnymi zasadami (NaOH), metalami ciężkimi. 4. W obecności wody polimeryzuje do paraformaldehydu.
Helpful?
❓ W jakich praktycznych zastosowaniach laboratoryjnych wykorzystuje się formaldehyd?
Formaldehyd stosuje się m.in.: 1. Jako środek dezynfekujący i konserwujący próbki biologiczne. 2. W syntezie żywic formaldehydowych (np. bakelit). 3. Do modyfikacji powierzchni w mikroskopii elektronowej. 4. Jako wzorzec w analizie chemicznej (np. do kalibracji czujników formaldehydu). 5. W badaniach biochemicznych jako środek krzyżujący DNA/RNA.
Helpful?
🧮 Laboratory calculators (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases MolGod_SPECDB_3
📋 Laboratory protocol generator MolGod_PROTOCOL_1

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR) MolGod_LABEL_1
Formaldehyde• formaldehyde / formalin• CAS: 50-00-0• Formula: CH2O• Mass: 30.03 g/molDANGERGHS HAZARD STATEMENTS:H350: May cause cancerH341: Suspected of causing genetic defectsH330: Fatal if inhaledH302: Harmful if swallowedDH ScientificScience first. Commerce as consequence.Batch No.: Netto Mass: MFG:
⏳ Stability & Shelf Life Advisor Arrhenius
Methodology: Arrhenius equation k = A·exp(-Ea/RT). Cite: Connors KA et al. 1986 · ICH Q1A(R2)

Enter the storage conditions → the Arrhenius algorithm will predict the remaining concentration, half-life, and usage recommendation.

Visual signs of degradation:
  • White solid = paraformaldehyde
❄️ Storage recommendations
Temperature:
15-25°C (NEVER below 15°C — paraformaldehyde precipitates)
Stabilizers:
Methanol 10-15%
Container:
HDPE/glass
Incompatible:
Oxidizers, bases, amines
🧪 Solution preparation assistant (Smart Prep) MolGod_PREP_2

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:
Preset recipes:
📚 Scientific literature overview — CAS 50-00-0MolGod_LITHUB_MAIN
⭐ Key findings (scientific literature) 20 publications
🏆 CAS 50-00-0 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Kanatharana, Proespichaya, Thavarungkul, Panote, Higson, Seamus P. J. et al. (2010) · Elsevier Science B.V., Amsterdam.
    Why it matters: 106 citations · open access
    SCORE 9.14 Mechanism Citations: 106 Open Access DOI ↗
  2. #2
    Parivash Bazmayon; Dawood Elhamifar; Shiva Kargar (2026) · Nanoscale Advances
    Why it matters: Recent (2026) · open access
    SCORE 8.86 Mechanism Citations: 3 Open Access DOI ↗ PubMed ↗
  3. #3
    et al. (2026) · Nanoscale Advances
    Why it matters: Recent (2026) · open access
    SCORE 8.48 Pharmacology Citations: 2 Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2026) · Chemistry – An Asian Journal
    Why it matters: Recent (2026) · open access
    SCORE 7.85 Industrial Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2026) · Environmental Analysis Health and Toxicology
    Why it matters: Recent (2026) · open access
    SCORE 7.15 Pharmacology Citations: 1 Open Access DOI ↗ PubMed ↗
  6. #6
    Farnaz Bahavarnia; Mohammad Hasanzadeh; Nasrin Shadjou (2026) · RSC Advances
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Analytics Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2027) · Synthetic and Systems Biotechnology
    Why it matters: Recent (2027) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · RSC Advances
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  9. #9
    Rua B. Alnoman (2026) · Chirality
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2026) · RSC Advances
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  11. #11
    et al. (2026) · ACS Omega
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2025) · Molecules
    Why it matters: Recent (2025) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  13. #13
    et al. (2026) · Advanced Science
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  14. #14
    Davenport, John, J. J. Davenport, R. P. Tatam et al. (2014) · International Society for Optical Engineering; 1999
    Why it matters: Open access
    SCORE 5.68 Analytics Citations: 2 Open Access DOI ↗
  15. #15
    Valverde-Santiago M; Pontel LB (2025) · Molecular cell
    Why it matters: Must-cite (canon) · recent (2025) · review
    SCORE 4.8 Review MUST-CITE DOI ↗
  16. #16
    Atkins J; Kukuyan AM; Toma M et al. (2025) · Leukemia
    Why it matters: Must-cite (canon) · recent (2025)
    SCORE 4 Pharmacology MUST-CITE DOI ↗
  17. #17
    Wolkoff P (2025) · Archives of toxicology
    Why it matters: Must-cite (canon) · recent (2025) · review
    SCORE 4 Review MUST-CITE DOI ↗
  18. #18
    (2011)
    Why it matters: Open access
    SCORE 2.55 Mechanism Open Access DOI ↗
  19. #19
    Hazardous Substance Ecological Fact Sheet Formaldehyde
    (1988)
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0.8 Industrial
  20. #20
    Formaldehyde/formalin [CAS No. 50-00-0]
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 0 Mechanism
📈 HPLC gradient — optimizer (LSS) TEMPLATE

Gradient based on PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Column: C18
  • Buffer: phosphate
  • Flow: 1 mL/min
  • logP: 1.2 (PubChem XLogP3)
  • Ramp: 15% → 95% B, 15 min
  • Total analysis time: 28 min
t (min) %A %B flow (mL/min) Comment
0 85 15 1 start (equilibrium)
2 85 15 1 end of initial hold
17 5 95 1 end of LSS ramp
22 5 95 1 column wash
23 85 15 1 return to init
28 85 15 1 re-equilibration
📚 Scientific references (Chicago Author-Date)
  1. 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).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. 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.
  4. 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.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. 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.
  7. 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 ↗]
  8. 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).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  13. 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 ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
  15. 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/50-00-0

🌈 Detector + wavelength (UV/Vis) 280 nm
λmax280 nm
λmin—
εmax (M⁻¹·cm⁻¹)20
Solvent (reference)predicted
Suggested λ280 nm
Recommended detectorELSD
AlternativesRID, MS, CAD

Data source: predicted_smiles_heuristic

📚 Scientific references (Chicago Author-Date) 36 refs · 5 baz

METODA Method Bibliography

  1. 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.
  2. Perkampus, Heinz-Helmut. 1992. "UV-VIS Spectroscopy and Its Applications." Springer. ISBN 978-3-642-77479-9. →
  3. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." 2nd ed. Wiley-Interscience. ISBN 978-0-471-41138-4.
  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. →
  5. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. →
  6. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  7. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  8. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. ISBN 978-0-471-68162-4. →
  10. Kim, Sunghwan, et al.. 2023. "PubChem 2023 update." Nucleic Acids Research 51: D1373-D1380 →
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 →
  13. 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 →
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →

MOLEKUŁA Per-CAS bibliography (live from 13+ databases)

Sources: db:Europe PMC (1) · db:openalex (12) · db:core (5) · db:molgod_data_citations:crossref (1)

  1. db:Europe PMC (2025). "Formaldehyde and its surrogates as a C1 platform for defossilised modern societies.". https://doi.org/10.1039/d5cs00882d →
  2. db:openalex Nathan H. Chen, Karrera Y. Djoko, Frédéric J. Veyrier et al.. (2016). "Formaldehyde Stress Responses in Bacterial Pathogens". Frontiers in Microbiology. https://doi.org/10.3389/fmicb.2016.00257 →
  3. db:core Geissler, Erik, Szilagyi, Imre, M., Czakkel, O. et al.. (2013). "TiO2-doped resorcinol–formaldehyde (RF) polymer and carbon gels with photocatalytic activity". https://doi.org/10.2478/nanome-2013-0001 →
  4. db:openalex Eloïse A. Marais, Daniel J. Jacob, T. P. Kurosu et al.. (2012). "Isoprene emissions in Africa inferred from OMI observations of formaldehyde columns". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-12-6219-2012 →
  5. db:core (2012). "Formaldehyde 50-00-0". https://doi.org/10.1002/0471701343.sdp12723.pub2 →
  6. db:molgod_data_citations:crossref (2011). "NIOSH skin notation (SK) profile: formaldehyde/formalin [CAS No. 50-00-0].". https://doi.org/10.26616/nioshpub2011145 →
  7. db:core Kanatharana, Proespichaya, Thavarungkul, Panote, Higson, Seamus P. J. et al.. (2010). "Sol-gel based sensor for selective formaldehyde determination". https://doi.org/10.1016/j.aca.2009.11.034 →
  8. db:openalex Gunnar Damgård Nielsen, Peder Wolkoff. (2010). "Cancer effects of formaldehyde: a proposal for an indoor air guideline value". Archives of Toxicology. https://doi.org/10.1007/s00204-010-0549-1 →
  9. db:openalex Susana Viegas, Carina Ladeira, Carla Nunes et al.. (2010). "Genotoxic effects in occupational exposure to formaldehyde: A study in anatomy and pathology laboratories and formaldehyde-resins production". Journal of Occupational Medicine and Toxicology. https://doi.org/10.1186/1745-6673-5-25 →
  10. db:openalex Anton C. de Groot, Mari‐Ann Flyvholm, Gerda Lensen et al.. (2009). "Formaldehyde‐releasers: relationship to formaldehyde contact allergy. Contact allergy to formaldehyde and inventory of formaldehyde‐releasers". Contact Dermatitis. https://doi.org/10.1111/j.1600-0536.2009.01582.x →
  11. db:openalex Michael Hauptmann, Patricia A. Stewart, Jay H. Lubin et al.. (2009). "Mortality From Lymphohematopoietic Malignancies and Brain Cancer Among Embalmers Exposed to Formaldehyde". JNCI Journal of the National Cancer Institute. https://doi.org/10.1093/jnci/djp416 →
  12. db:openalex T. Stavrakou, Jean‐François Müller, Isabelle De Smedt et al.. (2009). "Evaluating the performance of pyrogenic and biogenic emission inventories against one decade of space-based formaldehyde columns". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-9-1037-2009 →
  13. db:openalex T. Stavrakou, Jean‐François Müller, Isabelle De Smedt et al.. (2009). "Global emissions of non-methane hydrocarbons deduced from SCIAMACHY formaldehyde columns through 2003–2006". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-9-3663-2009 →
  14. db:openalex A. Heckel, Andreas Richter, T. Tarsu et al.. (2005). "MAX-DOAS measurements of formaldehyde in the Po-Valley". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-5-909-2005 →
  15. db:openalex Eric Brown, Michael R. Kessler, Nancy R. Sottos et al.. (2003). "In situ poly(urea-formaldehyde) microencapsulation of dicyclopentadiene". Journal of Microencapsulation. https://doi.org/10.1080/0265204031000154160 →
  16. db:core Chance, K., Daniel J. Jacob, Palmer, P. I. et al.. (2000). "Satellite observations of formaldehyde over North America from GOME". https://doi.org/10.1029/2000gl011857 →
  17. db:openalex Sherwood Burge, M G Harries, W.K. Lam et al.. (1985). "Occupational asthma due to formaldehyde.". Thorax. https://doi.org/10.1136/thx.40.4.255 →
  18. db:openalex John D. Goddard, Henry F. Schaefer. (1979). "The photodissociation of formaldehyde: Potential energy surface features". The Journal of Chemical Physics. https://doi.org/10.1063/1.437353 →
  19. db:core (0). "ToxFAQs for formaldehyde".

REST: /wp-json/molgod/v1/hplc/detector/50-00-0

📐 HPLC peak symmetry calculator (USP Tf / As)

Calculate the USP tailing factor (Tf) and asymmetry (As) from the peak half-widths. Enter a (left half-width) and b (right half-width) measured at 5% or 10% of peak height.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. 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).
  3. 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).
  4. 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.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. 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.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. 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 ↗]
  11. 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 ↗]
  12. 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 ↗]
  13. 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 ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
📊 Resolution and plate count calculator (Rs, N, H)

Calculate the resolution Rs, the number of theoretical plates N and HETP (H) for a pair of HPLC peaks. Enter the retention times, peak widths (at 50% or at the base) and the column length.

📚 References (Chicago Author-Date)
  1. 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).
  2. 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.
  3. 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.
  4. 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.
  5. 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).
  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 ↗] — Skewed-peak corrections to apparent N.
  7. 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 ↗]
  8. 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 ↗]
  9. 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 ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  11. 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 ↗]
  12. 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 ↗]
  13. 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 ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. 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 ↗]

Related products

🧪 System Suitability — live calculator (USP <621>)

Enter data from 5–6 injections (areas, tR, tailing, plates) — the calculator computes %RSD and means and checks compliance with USP <621>. You can paste CSV (comma-separated) or edit individual values.

📚 References (Chicago Author-Date)
  1. 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.
  2. 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.
  3. 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.
  4. 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).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."

Inne produkty z tej kategorii

📋 Status prawny (REACH / TSCA / UK)MolGod_REG_2
JurysdykcjaListaStatusSunset
USTSCAactive—
CADSL_TOXICrestricted—
AUAICSlisted—
📈 UV-VIS spectrum predictor (200-400 nm) λmax 280 nm MolGod_UVVIS_1

🔬 Predicted spectrum (SMILES heuristic) — λmax determined automatically from PubChem CanonicalSMILES. Accuracy ±30 nm; data do not replace an experimental measurement.

0%25%50%75%100%200250300350400280 nmA = ε·c·lA / Aₘₐₓ (%)
λmax280 nm
λmin—
εmax (M⁻¹·cm⁻¹)20
Solvent (query)water
Solvent (reference)predicted
Concentration (M)1e-4
Path length (cm)1
Curve FWHM30 nm

Model: Gaussian curve centered at λmax, scaled with the Beer-Lambert law A = ε · c · l. Transmittance T = 10^(-A) · 100%.

📚 Scientific references (Chicago Author-Date)
  1. Moreira, Caroline dos Santos. 2015. "Formaldhyde (CAS 50-00-0)." Revista Virtual de Química 7 (4): 1594-1601. https://doi.org/10.5935/1984-6835.20150088. [DOI]
  2. Anonymous. 2011. "NIOSH skin notation (SK) profile: formaldehyde/formalin [CAS No. 50-00-0].". https://doi.org/10.26616/nioshpub2011145. [DOI]
  3. (2025). "Formaldehyde and its surrogates as a C1 platform for defossilised modern societies.". https://doi.org/10.1039/d5cs00882d [DOI]
  4. Nathan H. Chen, Karrera Y. Djoko, Frédéric J. Veyrier et al.. (2016). "Formaldehyde Stress Responses in Bacterial Pathogens". Frontiers in Microbiology. https://doi.org/10.3389/fmicb.2016.00257 [DOI]
  5. Geissler, Erik, Szilagyi, Imre, M., Czakkel, O. et al.. (2013). "TiO2-doped resorcinol–formaldehyde (RF) polymer and carbon gels with photocatalytic activity". https://doi.org/10.2478/nanome-2013-0001 [DOI]
  6. Eloïse A. Marais, Daniel J. Jacob, T. P. Kurosu et al.. (2012). "Isoprene emissions in Africa inferred from OMI observations of formaldehyde columns". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-12-6219-2012 [DOI]
  7. (2012). "Formaldehyde 50-00-0". https://doi.org/10.1002/0471701343.sdp12723.pub2 [DOI]
  8. Kanatharana, Proespichaya, Thavarungkul, Panote, Higson, Seamus P. J. et al.. (2010). "Sol-gel based sensor for selective formaldehyde determination". https://doi.org/10.1016/j.aca.2009.11.034 [DOI]
  9. Gunnar Damgård Nielsen, Peder Wolkoff. (2010). "Cancer effects of formaldehyde: a proposal for an indoor air guideline value". Archives of Toxicology. https://doi.org/10.1007/s00204-010-0549-1 [DOI]
  10. Susana Viegas, Carina Ladeira, Carla Nunes et al.. (2010). "Genotoxic effects in occupational exposure to formaldehyde: A study in anatomy and pathology laboratories and formaldehyde-resins production". Journal of Occupational Medicine and Toxicology. https://doi.org/10.1186/1745-6673-5-25 [DOI]
  11. Anton C. de Groot, Mari‐Ann Flyvholm, Gerda Lensen et al.. (2009). "Formaldehyde‐releasers: relationship to formaldehyde contact allergy. Contact allergy to formaldehyde and inventory of formaldehyde‐releasers". Contact Dermatitis. https://doi.org/10.1111/j.1600-0536.2009.01582.x [DOI]
  12. Michael Hauptmann, Patricia A. Stewart, Jay H. Lubin et al.. (2009). "Mortality From Lymphohematopoietic Malignancies and Brain Cancer Among Embalmers Exposed to Formaldehyde". JNCI Journal of the National Cancer Institute. https://doi.org/10.1093/jnci/djp416 [DOI]
  13. T. Stavrakou, Jean‐François Müller, Isabelle De Smedt et al.. (2009). "Evaluating the performance of pyrogenic and biogenic emission inventories against one decade of space-based formaldehyde columns". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-9-1037-2009 [DOI]
  14. T. Stavrakou, Jean‐François Müller, Isabelle De Smedt et al.. (2009). "Global emissions of non-methane hydrocarbons deduced from SCIAMACHY formaldehyde columns through 2003–2006". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-9-3663-2009 [DOI]
  15. A. Heckel, Andreas Richter, T. Tarsu et al.. (2005). "MAX-DOAS measurements of formaldehyde in the Po-Valley". Atmospheric chemistry and physics. https://doi.org/10.5194/acp-5-909-2005 [DOI]
  16. Eric Brown, Michael R. Kessler, Nancy R. Sottos et al.. (2003). "In situ poly(urea-formaldehyde) microencapsulation of dicyclopentadiene". Journal of Microencapsulation. https://doi.org/10.1080/0265204031000154160 [DOI]
  17. Chance, K., Daniel J. Jacob, Palmer, P. I. et al.. (2000). "Satellite observations of formaldehyde over North America from GOME". https://doi.org/10.1029/2000gl011857 [DOI]
  18. Sherwood Burge, M G Harries, W.K. Lam et al.. (1985). "Occupational asthma due to formaldehyde.". Thorax. https://doi.org/10.1136/thx.40.4.255 [DOI]
  19. John D. Goddard, Henry F. Schaefer. (1979). "The photodissociation of formaldehyde: Potential energy surface features". The Journal of Chemical Physics. https://doi.org/10.1063/1.437353 [DOI]
  20. (0). "ToxFAQs for formaldehyde".
  21. 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]
  22. 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]
  23. 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.
  24. 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.
  25. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  26. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  27. 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.
  28. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  29. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  30. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  31. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  32. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  33. 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]
  34. 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]
  35. 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.
  36. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.

📖 Wartość λmax = 280 nm pochodzi z bazy/literatury. Brak niezależnego potwierdzenia krzyżowego (NIST / CrossRef / PubChem) — weryfikacja krzyżowa niedostępna.

REST: /wp-json/molgod/v1/spectra/uv-vis/50-00-0?solvent=water&path_length_cm=1

☣️ Toxicity (LD50 / LC50) GHS Cat 3 — ModerateMolGod_LD50_1
LD50
100 mg/kg
Gatunek / droga
Rat / doustnie
Klasyfikacja
Moderately toxic
Skala GHS (Acute Toxicity, oral, mg/kg bw):
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)

Source: RTECS LP8925000; ATSDR Tox Profile Formaldehyde 2024 (2024). CAS 50-00-0.

LD50/LC50 data are for guidance only; they do not replace the safety data sheet (SDS) or expert toxicological assessment. GHS classification for the oral route (mg/kg bw) per UN GHS, 10th rev. 2023, Annex 1 §3.1.1.

Bibliography (Chicago)
  • Hodge, Harold C., and James H. Sterner. 1949. "Tabulation of toxicity classes." American Industrial Hygiene Association Quarterly 10 (4): 93-96.
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  • WHO. 2023. "Recommended Classification of Pesticides by Hazard." World Health Organization (zgodne z UN GHS Annex 1 §3.1.1).
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 107 items

All scientific sources cited in the accordions above for CAS 50-00-0. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. 2026. NIST Chemistry WebBook: CAS 50-00-0. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=50-00-0. (Accessed 2026-11-12.)
  2. AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 50-00-0. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
  3. PubChem. 2026. PubChem Compound Summary: CAS 50-00-0. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=50-00-0. (Accessed 2026-11-12.)
  4. ECHA. 2026. C&L Inventory and REACH Registration: CAS 50-00-0. Helsinki: European Chemicals Agency. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp. (Accessed 2026-11-12.)

📐 Standards / Guidelines

  1. ICH. 2026. "ICH Harmonised Guideline: CAS 50-00-0." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-11-12.)
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. 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. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. 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. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Books

  1. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  3. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  4. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monographs

  1. IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 50-00-0. Lyon, France: International Agency for Research on Cancer, World Health Organization. (Accessed 2026-11-12.)

📄 Scientific articles (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

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