perfluorooctane sulfonic acid (CAS 2795-39-3) — Safety Data Sheet
Safety data sheet documentation for perfluorooctane sulfonic acid (CAS 2795-39-3), compiled to REACH Annex II with classification read against the harmonised entry in CLP Annex VI (H351, H360D, H362, H332). Two options: a working draft sent by e-mail immediately, or a signed card issued within 72 hours of complete input. The item supplied is a document — MolGod.org does not sell, supply or ship chemical substances.
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Structure 2D · 3D · SMILES · InChI · InChIKey
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A digital PDF safety data sheet in the sixteen-section structure of REACH Annex II (Regulation 1907/2006).
Substance identification, hazard classification, physicochemical, toxicological and ecological information, and regulatory references.
Classification read against the harmonised entry in CLP Annex VI where one exists for the substance.
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The safety data sheet at your entitlement level — sixteen sections in the order set by REACH Annex II, for this substance, in the language you select.
The CLP label artwork — generated from the same classification as the sheet, so the two cannot disagree.
The specification, and the certificate of analysis where batch data exists.
sources.txt — every citation with the date it was read.
An explicit list of what we could not establish — fields marked unavailable rather than filled with an estimate. This is the honest part of the document and we do not hide it in a footnote.
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3D model Potassium perfluorooctanesulfonate, CAS 2795-39-3, molecular formula C₈F₁₇KO₃S, molar mass 538.22 g/mol
Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.
PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗
applies to: Molecular formula · Molecular weight · IUPAC name · SMILES · InChIKey
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review1
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review2
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review2
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review1
García Lobo, Jimena, Olga Mateo, Lucia Guerra-Menéndez et al.. (2024). "Thyroid Hormone Neuroprotection Against Perfluorooctane Sulfonic Acid Cholinergic and Glutamatergic Disruption and Neurodegenera
Yue Zhang, Ni Yan, Jingrui Li et al.. (2024). "The Co-Transport of Perfluorooctane Sulfonic Acid (Pfos) and its Precursor Perfluorooctane Sulfonamide (Pfosa) in Saturated Porous Media". https://doi.or
(2024). "Systemic and immunotoxicity induced by topical application of perfluoroheptane sulfonic acid (PFHpS) or perfluorooctane sulfonic acid (PFOS) in a murine model (dataset).". https://doi.org/10.
MOLECULE
Per-CAS bibliography (live from 13+ databases)
Sources: db:crossref (9) · db:core (7)
db:crossref
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review1 →
db:crossref
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review2 →
db:crossref
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review2 →
db:crossref
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review1 →
db:core
García Lobo, Jimena, Olga Mateo, Lucia Guerra-Menéndez et al.. (2024). "Thyroid Hormone Neuroprotection Against Perfluorooctane Sulfonic Acid Cholinergic and Glutamatergic Disruption and Neurodegeneration Induction". https://doi.org/10.3390/biomedicines12112441 →
db:crossref
Yue Zhang, Ni Yan, Jingrui Li et al.. (2024). "The Co-Transport of Perfluorooctane Sulfonic Acid (Pfos) and its Precursor Perfluorooctane Sulfonamide (Pfosa) in Saturated Porous Media". https://doi.org/10.2139/ssrn.4780900 →
db:crossref
(2024). "Systemic and immunotoxicity induced by topical application of perfluoroheptane sulfonic acid (PFHpS) or perfluorooctane sulfonic acid (PFOS) in a murine model (dataset).". https://doi.org/10.26616/nioshrd-1093-2024-0 →
db:crossref
Yu-Chi Lee, Yuan-Han Liu, Yuan-Han Liu et al.. (2024). "Uv/Sulfite Reduction Kinetics of Perfluorobutane Sulfonic Acid (Pfbs), Perfluorooctane Sulfonic Acid (Pfos) And Perfluorooctanoic Acid (Pfoa)". https://doi.org/10.2139/ssrn.4739645 →
db:core
Bolaji, Oyeyemi, Ziwei, Han, Jenny, Zenobio et al.. (2023). "Perfluorooctanoic acid dominates the molecular-level effects of a trace mixture of perfluorooctanoic acid and perfluorooctane sulfonic acid in earthworm". https://doi.org/10.26434/chemrxiv-2023-2kz86 →
db:core
Conti A., Strazzeri C., Rhoden K. J.. (2020). "Perfluorooctane sulfonic acid, a persistent organic pollutant, inhibits iodide accumulation by thyroid follicular cells in vitro". https://doi.org/10.1016/j.mce.2020.110922 →
db:crossref
Nicole M. Dennis, Adcharee Karnjanapiboonwong, Seenivasan Subbiah et al.. (2020). "Chronic Reproductive Toxicity of Perfluorooctane Sulfonic Acid and a Simple Mixture of Perfluorooctane Sulfonic Acid and Perfluorohexane Sulfonic Acid to Northern Bobwhite Quail (Colinus virginianus)". Environmental Toxicology and Chemistry. https://doi.org/10.1002/etc.4703 →
db:crossref
O. Crosby. (2020). "perfluorooctane sulfonic acid". Catalysis from A to Z. https://doi.org/10.1002/9783527809080.cataz12593 →
db:core
Frederick Pontius. (2019). "Regulation of Perfluorooctanoic Acid (PFOA) and Perfluorooctane Sulfonic Acid (PFOS) in Drinking Water: A Comprehensive Review". https://doi.org/10.3390/w11102003 →
db:core
Lahrssen - Wiederholt, M., Zeilmaker, M. J., Eijkeren, J.C.H. et al.. (2013). "Transfer of perfluorooctane sulfonic acid (PFOS) from contaminated feed to dairy milk". https://doi.org/10.1016/j.foodchem.2013.04.035 →
db:core
Baihua Shu, Li, Yuanyuan, Xu, Shunqing et al.. (2011). "A rapid and high-throughput quantum dots bioassay for monitoring of
perfluorooctane sulfonate in environmental water samples". https://doi.org/10.1016/j.envpol.2011.01.011 →
db:core
Lorber, M, Toms, LML, Calafat, Antonia et al.. (2010). "Use of simple pharmacokinetic modeling to characterize exposure of Australians to perfluorooctanoic acid and perfluorooctane sulfonic acid". https://doi.org/10.1016/j.envint.2010.02.008 →
Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO — national rule, Poland). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.
Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.
Data is fetched once (JCAMP-DX parser) and stored in the plugin's local database. No duplicate downloads, no NIST queries on subsequent openings. Licences respected (only a deep link plus our own visualisation is published).
Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum.
IR — Fourier-transform infrared
Loading IR — Fourier-transform infrared…
MS — Mass spectrometry (EI 70eV)
Loading MS — Mass spectrometry (EI 70eV)…
🔎 Spectrum Search (JCAMP-DX)
Upload a JCAMP-DX file (.jdx, .dx, .jcm) — the system will calculate the cosine similarity against all spectra in the database and display the TOP 10 matches.
📚 Bibliography (Chicago)
McLafferty, Fred W., ed. 2018. Wiley Registry of Mass Spectral Data. 11th ed. Hoboken, NJ: Wiley. A reference MS library (~775k spectra).
Stein, Stephen E., and Donald R. Scott. 1994. "Optimization and Testing of Mass Spectral Library Search Algorithms for Compound Identification." Journal of the American Society for Mass Spectrometry 5 (9): 859–866. The cosine + dot-product algorithm of NIST MS Search.
McDonald, Robert S., and Paul A. Wilks Jr. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. The JCAMP-DX specification (extended to 5.01 for NMR/MS).
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. Cosine-similarity matching and MS fragmentation — the foundation of the search algorithm.
Sumner, Lloyd W., Alexander Amberg, Dave Barrett, Michael H. Beale, Richard Beger, Clare A. Daykin, Teresa W.-M. Fan, et al. 2007. "Proposed Minimum Reporting Standards for Chemical Analysis." Metabolomics 3 (3): 211–221. MSI Level 1-4 — confidence-level standards for spectral matching.
Stein, Stephen E. 1999. "An Integrated Method for Spectrum Extraction and Compound Identification from Gas Chromatography/Mass Spectrometry Data." Journal of the American Society for Mass Spectrometry 10 (8): 770–781. The AMDIS algorithm — deconvolution + library match (NIST).
Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. Encyclopedia entries on spectral library searching.
Smith, Brian C. 2011. "Fundamentals of Fourier Transform Infrared Spectroscopy." 2nd ed. Boca Raton, FL: CRC Press. FT-IR and the JCAMP-DX format for transmission spectra.
Larkin, Peter. 2017. "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation." 2nd ed. Amsterdam: Elsevier. Principles of IR/Raman library matching and peak preprocessing.
Structural properties
Loading structural data...
❓ Frequently asked questions (3)
What is Potassium perfluorooctanesulfonate?
Potassium perfluorooctanesulfonate (CAS 2795-39-3) is a chemical compound with the molecular formula C₈F₁₇KO₃S and a molecular weight of 538.22 g/mol.
Helpful?
What is the CAS number of Potassium perfluorooctanesulfonate?
The CAS number for Potassium perfluorooctanesulfonate is 2795-39-3.
Helpful?
What is the chemical formula of Potassium perfluorooctanesulfonate?
The molecular formula of Potassium perfluorooctanesulfonate is C₈F₁₇KO₃S.
Helpful?
➕ Suggest a question
Download structure files
Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity
c (mol/L) = (g/L) / MW
±0.1% (depends on MW precision)
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity
c (mol/L) = mmol/L × 10⁻³
Exact
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin
T(K) = t(°C) + 273.15
±0.01 K (ITS-90 scale)
BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit
T(°F) = T(°C) × 9/5 + 32
±0.1 °F
Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity
c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL
±0.1% when ρ known to 3 decimals
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliography (8 authoritative sources)
Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008 → Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7 → Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗ → International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗ → General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗ → Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010 → Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook → Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5 → Historical predecessor of IUPAC Green Book
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).
H372 — Causes damage to organs through prolonged or repeated exposure
H411 — Toxic to aquatic life with long lasting effects
🛡 Precautionary statements (P)
P203 — Obtain, read and follow all safety instructions before use
✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 607-624-00-8.
Reference (Chicago): European Chemicals Agency. "perfluorooctane sulfonic acid; heptadecafluorooctane-1-sulfonic acid, Index No. 607-624-00-8." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.
☢️ Toxicological data (IARC + EPA CTX)
🧬 IARC Carcinogen Classification
IARC classification:
⚠️ No individual IARC entry for this CAS
NOTE: substance classified as carcinogenic under ECHA CLP (Carc. 2, H351, H360D, H362) — see the CMR section below. The absence of an IARC monograph does not mean the absence of carcinogenicity.
🌍 Ecotoxicology & environmental fate (SDS sec. 8/12)
LC₅₀ (fish):
0.939 mg/L (Cyprinodon variegatus, 96 h)
EC₅₀ (Daphnia):
8.8 mg/L (Daphnia carinata, 48 h)
EC₅₀ (algae):
12 mg/L (Macrocystis pyrifera, 48 h)
ED — animal studies (sec. 11.2):
Triiodothyronine (Rattus norvegicus) [https://doi.org/10.1093/toxsci/kfm065]; Testosterone (Rattus norvegicus) [https://doi.org/10.1093/toxsci/kfm065] — source: US EPA ECOTOX (evidence of effect, not a regulatory ED classification).
ED — aquatic organisms (sec. 12.7):
Thyroxine (Peromyscus leucopus) [https://doi.org/10.1016/j.reprotox.2022.08.011]; (hormonal) (Xenopus laevis) [https://doi.org/10.1002/jat.4599]; 11-Ketotestosterone (Pimephales promelas) [https://doi.org/10.1897/04-419.1] — source: US EPA ECOTOX (evidence of effect, not a regulatory ED classification).
Source: U.S. EPA ECOTOX Knowledgebase — https://cfpub.epa.gov/ecotox/
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review1 [DOI]
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review2 [DOI]
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review2 [DOI]
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review1 [DOI]
García Lobo, Jimena, Olga Mateo, Lucia Guerra-Menéndez et al.. (2024). "Thyroid Hormone Neuroprotection Against Perfluorooctane Sulfonic Acid Cholinergic and Glutamatergic Disruption and Neurodegeneration Induction". https://doi.org/10.3390/biomedicines12112441 [DOI]
Yue Zhang, Ni Yan, Jingrui Li et al.. (2024). "The Co-Transport of Perfluorooctane Sulfonic Acid (Pfos) and its Precursor Perfluorooctane Sulfonamide (Pfosa) in Saturated Porous Media". https://doi.org/10.2139/ssrn.4780900 [DOI]
(2024). "Systemic and immunotoxicity induced by topical application of perfluoroheptane sulfonic acid (PFHpS) or perfluorooctane sulfonic acid (PFOS) in a murine model (dataset).". https://doi.org/10.26616/nioshrd-1093-2024-0 [DOI]
Yu-Chi Lee, Yuan-Han Liu, Yuan-Han Liu et al.. (2024). "Uv/Sulfite Reduction Kinetics of Perfluorobutane Sulfonic Acid (Pfbs), Perfluorooctane Sulfonic Acid (Pfos) And Perfluorooctanoic Acid (Pfoa)". https://doi.org/10.2139/ssrn.4739645 [DOI]
Bolaji, Oyeyemi, Ziwei, Han, Jenny, Zenobio et al.. (2023). "Perfluorooctanoic acid dominates the molecular-level effects of a trace mixture of perfluorooctanoic acid and perfluorooctane sulfonic acid in earthworm". https://doi.org/10.26434/chemrxiv-2023-2kz86 [DOI]
Conti A., Strazzeri C., Rhoden K. J.. (2020). "Perfluorooctane sulfonic acid, a persistent organic pollutant, inhibits iodide accumulation by thyroid follicular cells in vitro". https://doi.org/10.1016/j.mce.2020.110922 [DOI]
Nicole M. Dennis, Adcharee Karnjanapiboonwong, Seenivasan Subbiah et al.. (2020). "Chronic Reproductive Toxicity of Perfluorooctane Sulfonic Acid and a Simple Mixture of Perfluorooctane Sulfonic Acid and Perfluorohexane Sulfonic Acid to Northern Bobwhite Quail (Colinus virginianus)". Environmental Toxicology and Chemistry. https://doi.org/10.1002/etc.4703 [DOI]
O. Crosby. (2020). "perfluorooctane sulfonic acid". Catalysis from A to Z. https://doi.org/10.1002/9783527809080.cataz12593 [DOI]
Frederick Pontius. (2019). "Regulation of Perfluorooctanoic Acid (PFOA) and Perfluorooctane Sulfonic Acid (PFOS) in Drinking Water: A Comprehensive Review". https://doi.org/10.3390/w11102003 [DOI]
Lahrssen - Wiederholt, M., Zeilmaker, M. J., Eijkeren, J.C.H. et al.. (2013). "Transfer of perfluorooctane sulfonic acid (PFOS) from contaminated feed to dairy milk". https://doi.org/10.1016/j.foodchem.2013.04.035 [DOI]
Baihua Shu, Li, Yuanyuan, Xu, Shunqing et al.. (2011). "A rapid and high-throughput quantum dots bioassay for monitoring of
perfluorooctane sulfonate in environmental water samples". https://doi.org/10.1016/j.envpol.2011.01.011 [DOI]
🚨 Emergency procedure — chemical spillHealth hazard
CAS 2795-39-3GHS:H351H360DH362H332H302H372H411💨 Ventilation
🥽 PPE — Personal protective equipment
Goggles:Yes
Suit:lab coat
Respirator:half-mask / full-face respirator per SDS (dust P2/P3)
📦 Small spill (<1L) — absorbent: inert mineral (vermiculite)
⚠️ GENERIC procedure derived from the GHS classification (no curated data for this CAS). Always follow the supplier's current Safety Data Sheet (SDS).
1. Minimize exposure — restrict access by unauthorized persons.
2. Full PPE + respiratory protection; no dust/vapor generation.
3. Sealed, labeled container.
4. Wash the area with water; treat residues and absorbent as hazardous waste.
Additional properties from GHS:
• irritant — avoid skin/eye contact and dust inhalation
• hazardous to the environment — prevent entry into drains, soil and water
🛢️ Large spill (>1L) ⚠️ Hazardous material
1. Evacuate; entry only in full PPE with respiratory protection.
2. Contain; avoid dispersal; follow the site procedure for CMR/STOT substances.
3. Collect mechanically into a labeled UN container; hand over to an authorized company (BDO — national rule, Poland).
4. Report the incident per the OHS procedure; on release to the environment notify the Regional Environmental Inspectorate (WIOŚ) (national rule — Poland).
🩹 First aid
🧴 Skin
1. Remove contaminated clothing.
2. Rinse the skin with plenty of water for ≥15 min.
3. The substance may be absorbed through the skin — monitor symptoms / see a doctor.
👁️ Eyes
1. Rinse with water for ≥15 min, eyelids held open; remove contact lenses.
2. See an ophthalmologist if irritation persists.
🫁 Inhalation
1. Move the casualty to fresh air, comfortable position.
2. If short of breath — oxygen / doctor.
🍽️ Ingestion
1. Rinse the mouth with water; do NOT induce vomiting.
2. Poison Control Center (Poland): +48 42 631 47 24.
🌍 Environment:
Water: High; Soil: Medium; ❌ Do not release into drains; Waste Code: 16 05 06*
📚 Scientific references (Chicago Author-Date) — 8
European Chemicals Agency (ECHA). 2020. Guidance on the Compilation of Safety Data Sheets — Section 6: Accidental Release Measures. ECHA.
[link ↗]
European Parliament and Council. 2008. Regulation (EC) No 1272/2008 (CLP) — Hazard classes and H-statements. Official Journal of the European Union L 353.
[link ↗]
National Institute for Occupational Safety and Health (NIOSH). 2023. Pocket Guide to Chemical Hazards — NIOSH Pocket Guide to Chemical Hazards. CDC.
[link ↗]
U.S. Occupational Safety and Health Administration. 2024. 29 CFR 1910.120 — Hazardous Waste Operations and Emergency Response (HAZWOPER). U.S. Code of Federal Regulations.
[link ↗]
National Fire Protection Association. 2018. NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents. NFPA.
[link ↗]
European Parliament and Council. 2012. Directive 2012/18/EU on the Control of Major-Accident Hazards Involving Dangerous Substances (Seveso III). Official Journal of the European Union L 197: 1–37.
[link ↗]
U.S. National Institute for Occupational Safety and Health. 2024. NIOSH Pocket Guide to Chemical Hazards. Centers for Disease Control and Prevention.
[link ↗]
European Chemicals Agency. 2020. Guidance on the Compilation of Safety Data Sheets (SDS), Version 3.1. ECHA.
[link ↗]
Sources: GHS/CLP classification (PubChem/SDS) — generic fallback · ECHA Guidance on SDS (section 6) · NIOSH Pocket Guide.
Indicative data only — in an emergency, always follow the supplier's instructions and local occupational health and safety (OHS) regulations.
ℹ️ Regulatory obligations checklist for CAS 2795-39-3.
Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis).
▣SDS (Safety Data Sheet) availablerequired
How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format.
Legal basis: Regulation (EC) No 1907/2006 (REACH) Art. 31 + Annex II
▣Compliant CLP label (pictograms + signal word + H/P)required
How to comply: The label must include: GHS pictograms, the signal word (Danger/Warning), hazard (H) and precautionary (P) statements, and manufacturer details. Required since 2010 (substances) and 2015 (mixtures). For this substance a HARMONISED CLASSIFICATION applies (CLP Annex VI) — see below; it takes precedence over self-classification.
Legal basis: Regulation (EC) No 1272/2008 (CLP) Art. 17-33 + Annex VI (harmonised classification)
❓ADR transport (international agreement)to be verified
How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS).
Legal basis: ADR 2025 European Agreement + Polish Act of 19 August 2011 on the Transport of Dangerous Goods National rules — Poland
🔵REACH registration (>1 t/year EU import)conditional
How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list.
Legal basis: Regulation (EC) No 1907/2006 (REACH) Art. 5-22
▣REACH Annex XVII (use/marketing restrictions)required
How to comply: Substance subject to a REACH Annex XVII restriction (entry 28–30): CMR category 1A/1B — not for supply to the general public (professional users only). Check the conditions for placing on the market/use and the note in SDS section 15.
Legal basis: Regulation (EC) No 1907/2006 (REACH) Annex XVII — restrictions on manufacture, placing on the market and use
⚠️ REACH Annex XVII (entry 28–30): CMR category 1A/1B — not for supply to the general public (professional users only).
European Parliament and Council. 2008. Regulation (EC) No 1272/2008 on classification, labelling and packaging of substances and mixtures (CLP). Official Journal of the European Union L 353/1. CLP Regulation 1272/2008. [link ↗] — Classification, labelling and packaging of substances + mixtures (GHS implementation in the EU)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — registration, evaluation and authorisation of chemicals; SVHC; SDS Annex II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. National rules — Poland[link ↗] — NDS and NDSCh for ~600 chemical substances — current Polish occupational exposure limits
United Nations Economic Commission for Europe (UNECE). 2025. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — International agreement on the road transport of dangerous goods — UN numbers, classes, packaging
📚 Consolidated scientific references — Chicago Author-Date 10 sources
References collected from all Safety Hub tabs. CAS: 2795-39-3 ·
PubChem ↗
Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗]
GHS, Regulations
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗]
GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8.
First aid, Toxicology
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. [↗]
First aid, PPE, Toxicology
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗]
PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗]
Disposal, Regulations
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗]
Storage
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗]
Storage
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. National rules — Poland[↗]
Disposal
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗]
Toxicology
Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.
Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).
Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
x̄ = Σxᵢ / n — arithmetic mean
s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
s = √s² — standard deviation
RSD% = (s / x̄) × 100% — relative standard deviation
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🧪 Solubility and solvent compatibility
Molecule
Potassium perfluorooctanesulfonate
Formula
C₈F₁₇KO₃S
logP (XLogP3)
—
Mass (g/mol)
538.22
Polarity
—
⚠️ GC estimate (Hoftyzer–Van Krevelen). No literature HSP data for this CAS — precision ±2 MPa½. Verify experimentally.
Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
Solubility theory (applied in compatibility prediction):
Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solvatochromism.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution for dD/dP/dH from SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
PubChem Compound Database — CAS 2795-39-3 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.
Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.
🧮 Solubility calculator
Solubility:—
logS:—
Method:—
⚠️ —
Solubility vs temperature
🌐 Hansen Solubility Sphere (3D)
⚠️ The Hansen parameters for this substance fall outside the range of the method.
At least one of the δD/δP/δH parameters fell outside the domain of validity of the group contribution method (Hoftyzer–Van Krevelen), so the position of the molecule in Hansen space is unknown. The distance Ra is measured FROM THAT POINT — it cannot be calculated without knowing the point. The sphere and the distance table have been omitted rather than filled with numbers that have nothing behind them. Where a solubility measurement exists, it is shown in the table below.
Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) Target molecule: δD=outside the method's range,
δP=outside the method's range,
δH=outside the method's range8
📊 Automatically extracted topics from the abstracts of 15 publications for CAS 2795-39-3.
Algorithm: TF-IDF (Salton & Buckley 1988) — term frequency × inverse document frequency.
📊 Citation graph for CAS 2795-39-3.
Each node = a research paper; an A→B edge = paper A cites B. Data from OpenAlex (Priem 2022).
⚡ Fetch network data
Network built on-demand from the OpenAlex API (24h cache).
Why this page can be checked
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Data
Every physicochemical value carries the source it came from and the date that source was read. Open any of them.
Classification
Read against the harmonised entry where one exists, with the index number stated. Self-classification is shown separately and labelled.
Regulatory
Inventory, restriction, authorisation and candidate-list status, each stated individually. Where a status is not established, this page says so — it never says no restrictions apply.
Documentation
Which documents exist, at what review level, in which languages, and when each was issued.
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Who is selling this, and what they have published about themselves.
Nothing on this page is a certification. It is a record you can audit.
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If the available evidence cannot support a defensible document for your CAS number and product specification, we will not invent the missing values. You receive a documented gap report and choose: a refund, store credit, or the report on its own.
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Regulatory paperwork for CAS 2795-39-3 (perfluorooctane sulfonic acid), written against REACH Annex II and the harmonised classification in force. MolGod issues the documentation and does not supply chemicals.
perfluorooctane sulfonic acid (CAS 2795-39-3) at a glance
Substance – perfluorooctane sulfonic acid
CAS number – 2795-39-3
CLP Annex VI index number – 607-624-00-8
Also known as – heptadecafluorooctane-1-sulfonic acid
Hazard statements – H351 (suspected of causing cancer); H360D (may damage the unborn child); H362 (may cause harm to breast-fed children); H332 (harmful if inhaled); H302 (harmful if swallowed); H372 (causes damage to organs through prolonged or repeated exposure)
CMR classification – yes, classified as carcinogenic, mutagenic or toxic for reproduction
Documentation issued – safety data sheet in REACH Annex II structure; working draft or signed card
What is supplied – a document. MolGod.org does not sell, supply or ship chemical substances.
What do customs check when importing perfluorooctane sulfonic acid?
When a consignment of perfluorooctane sulfonic acid is stopped at the border, the document examined first is rarely the invoice. It is section 14 of the safety data sheet and its agreement with the transport papers. A missing packing group, an absent UN number or a proper shipping name that contradicts the classification of CAS 2795-39-3 will hold the pallet regardless of how complete the remaining fifteen sections are.
Target organ toxicity in the sheet
Specific target organ toxicity (H372) obliges the sheet to state the route of exposure and, where established, the organ affected. This is one of the few places where a generic phrase is treated as a defect rather than as caution: an unspecified organ leaves the downstream user unable to build an exposure scenario.
Who is responsible for REACH compliance for perfluorooctane sulfonic acid?
The responsibility for documentation accompanying perfluorooctane sulfonic acid rests with the entity introducing it into the Union market, rather than with any external supplier. Importers share the same obligations as manufacturers, including designating a identifiable EU contact in section 1. A non-EU supplier may appoint a sole representative, but this appointment must be established prior to the movement of goods, not in response to subsequent inquiries.
What must the label for perfluorooctane sulfonic acid contain?
The supply label for perfluorooctane sulfonic acid is generated from the same classification that drives the safety data sheet: pictograms selected by precedence, one signal word derived from the highest hazard class present, and the hazard statements H351, H360D, H362… reproduced in full. Where the container is too small to carry the complete set at a legible size, there are lawful ways to handle it and unlawful ones that look identical to a non-specialist.
Why a correct sheet stops being correct
Classification under CLP moves with each Adaptation to Technical Progress. A sheet for CAS 2795-39-3 written before the amendment that touched its entry keeps stating a classification the register no longer holds. Nothing in the document announces this — it reads exactly as it did on the day it was issued, which is precisely why revision dates are checked before content.
What is the CLP classification of perfluorooctane sulfonic acid?
The harmonised classification for CAS 2795-39-3 carries 7 hazard statements: H351, H360D, H362, H332, H302, H372, H411. In plain terms this means suspected of causing cancer; may damage the unborn child; may cause harm to breast-fed children; harmful if inhaled. A harmonised entry is binding across the Union — an importer may not soften it, and a self-classification that diverges from it will not survive an enforcement check.
Stability, reactivity and incompatibilities
Section 10 records stability and reactivity for perfluorooctane sulfonic acid: conditions to avoid, incompatible materials, and hazardous decomposition products. This is the section a laboratory consults before placing two substances on the same shelf.
How is perfluorooctane sulfonic acid classified for road, sea and air transport?
Section 14 for CAS 2795-39-3 includes the UN number, correct shipping name, class, packing group, and environmental hazard where applicable. If the substance is not hazardous for transportation, Section 14 explicitly states this rather than being left empty; an empty Section 14 is interpreted as an omission rather than a lack of hazard.
Where is regulatory status recorded for perfluorooctane sulfonic acid?
Whether CAS 2795-39-3 carries obligations beyond classification — candidate list entry, authorisation, restriction — belongs in section 15. Customers increasingly request a written statement on this point before placing an order, and the sheet is the natural place for it.
In which language must the SDS for perfluorooctane sulfonic acid be supplied?
Documentation for perfluorooctane sulfonic acid travels only as far as its language permits. Translation here is not editorial work: hazard statements have fixed official wording in each language, and paraphrasing them — however accurately — produces a sheet that no longer matches the register. The phrasing is prescribed, and it has to be reproduced, not rendered.
Purity, certificates and what the sheet does not say
A laboratory receiving perfluorooctane sulfonic acid from its supplier holds two documents that must agree with each other: the safety data sheet for the substance and the certificate for the batch in hand. Where identity or supplier details diverge between them, both become questionable. MolGod prepares and audits those documents; the material itself comes from your supplier.
Is perfluorooctane sulfonic acid classified as a CMR substance?
CAS 2795-39-3 is classified as a CMR substance (H360D). That status changes the obligations attached to every shipment: workplace exposure documentation, restrictions on supply to the general public, and substitution pressure from downstream users who must justify continued use. A safety data sheet for a CMR substance is read more closely than any other, because the classification itself invites scrutiny.
Documentation demand on the EU market
CAS 2795-39-3 has a recorded presence on the European trading market, which means documentation for it is requested routinely rather than exceptionally. Substances that move in commerce attract repeat scrutiny: the same sheet is read by successive customers, carriers and authorities, and a defect that survives the first reading rarely survives the tenth.
Identifiers that must agree
CAS 2795-39-3 and index number 607-624-00-8 are not interchangeable and not decorative. The index number ties the entry to the harmonised classification; the CAS number ties it to the chemical literature. A file carrying one without the other forces every reader to reconstruct the link, and reconstruction is where errors enter.
How do I check if my SDS for perfluorooctane sulfonic acid is still valid?
If a document concerning perfluorooctane sulfonic acid is already in circulation, the initial consideration should be whether it is incorrect rather than whether to replace it, and if incorrect, in which specific sections. Errors tend to recur across a range of documents; therefore, examining three documents often provides insights that would otherwise require reviewing three hundred.
Questions about documentation for perfluorooctane sulfonic acid
Is perfluorooctane sulfonic acid a CMR substance?
Yes. The harmonised classification places it among substances classified as carcinogenic, mutagenic or toxic for reproduction, which changes workplace documentation and supply restrictions.
What hazard statements apply to CAS 2795-39-3?
The harmonised entry lists H351, H360D, H362, H332. These are binding across the Union and may not be softened by a self-classification.
In which language must the sheet be supplied?
In an official language of each Member State where perfluorooctane sulfonic acid is placed on the market, unless that State has stated otherwise.
Can I check whether my existing sheet is still valid?
Yes. A section-by-section reading against Annex II and the current harmonised entry establishes that in one pass, and a sheet that passes is reported as passing.
MolGod.org issues documentation and does not sell, supply or ship chemical substances. CAS 2795-39-3 identifies the subject of this document.
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Full 16-section REACH Annex II structure
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Public-source data with references
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For internal drafting and supplier review. Unsigned; supplier-specific fields may need completing.
Best for
Seeing what the document will contain before you commit
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Substances you handle but do not yet sell
Recommended when the document leaves your company✍
Expert-Reviewed SDS
€249.99
Everything in the Working Draft
Reviewed by a competent person under Annex II, section by section
Adapted to your company, product grade and identified use
Destination market and language checked
Transport section reviewed for the mode you request
Five rounds of corrections applied to your instructions
Within 72 hours of receiving complete input.
Best for
Any document that leaves your company
A customer or distributor who asked for the sheet
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If you are unsure, read down the left column and stop at the first line that describes your situation.
What the document is for
Working Draft €49.99
Expert-Reviewed €249.99
Internal drafting and review
Yes
Yes
Checking a sheet a supplier sent you
Yes
Yes
Sent to your customer
Not written for this
Yes
Travels with an export shipment
Not written for this
Yes
Read by an inspector or authority
Not written for this
Yes
Adapted to your company, grade and identified use
No
Yes
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No
Yes
When you get it
Immediately after payment
Within 72 hours of complete input
Nothing stops you sending a draft to anyone. "Not written for this" means exactly that: it carries no signature and no fields adapted to your company, so it will not answer the questions the recipient is about to ask.
What the signature means
Who prepares the document
The document is generated by the MolGod engine from ECHA CLP Annex VI and the cited public sources, then read section by section by a qualified scientific reviewer with a degree in chemistry or a related scientific field.
What the review covers
The sheet is read section by section against the REACH Annex II structure. GHS classification and transport entries are checked against the sources cited in the document, and the sheet is adapted to the company, product grade and identified use you provide.
What is NOT verified
We do not test your material and we cannot confirm what is physically in your container: composition, concentration, impurities or manufacturing route. Those come from you and are reproduced as supplied.
What the signature is — and is not
The signature records that a qualified scientific reviewer read the document. It is not a government approval, not an ECHA approval, and not a legal certification — no such certification exists for safety data sheets in the EU. A signature does not by itself make a document legally valid or make your business compliant.
What you receive
A PDF in the 16-section REACH Annex II structure, signed and dated, with version information and a list of anything we could not establish. Five rounds of corrections are included.
Delivery
Within 72 hours of receiving complete input from you. The clock pauses whenever we are waiting on an answer.
Refunds
Full refund before review begins. If the evidence is insufficient, you choose a refund, store credit or a gap report. See the refund policy.
No fabricated-data guarantee.
If the available evidence is insufficient to support a defensible document for this CAS number and your product specification, we will not invent the missing values. You may choose a refund, store credit or a documented gap report.
The supplier placing the substance or mixture on the market remains responsible for ensuring that the final safety data sheet matches the material, its identified uses and their legal role in the supply chain.
📚 Scientific references (Chicago Author-Date) — click to expand
Batch management and laboratory certification standards — 13 independent sources (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).
International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients
📜 Patents (public metadata)
no data
No public patent metadata was found for this substance in Crossref / OpenAlex at this time. Data will be updated automatically after the next cache refresh (24h).
📚 References (Chicago Author-Date) — click to expand
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review1
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v2/review2
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review2
(2026). "Review for "Remediation of Perfluorooctane Sulfonic Acid (PFOS) using Supported Lipid Bilayers on Mesoporous-SiO2"". https://doi.org/10.1039/d6ta01843b/v1/review1
García Lobo, Jimena, Olga Mateo, Lucia Guerra-Menéndez et al.. (2024). "Thyroid Hormone Neuroprotection Against Perfluorooctane Sulfonic Acid Cholinergic and Glutamatergic Disruption and Neurodegeneration Induction". https://doi.org/10.3390/biomedicines12112441
Yue Zhang, Ni Yan, Jingrui Li et al.. (2024). "The Co-Transport of Perfluorooctane Sulfonic Acid (Pfos) and its Precursor Perfluorooctane Sulfonamide (Pfosa) in Saturated Porous Media". https://doi.org/10.2139/ssrn.4780900
(2024). "Systemic and immunotoxicity induced by topical application of perfluoroheptane sulfonic acid (PFHpS) or perfluorooctane sulfonic acid (PFOS) in a murine model (dataset).". https://doi.org/10.26616/nioshrd-1093-2024-0
Yu-Chi Lee, Yuan-Han Liu, Yuan-Han Liu et al.. (2024). "Uv/Sulfite Reduction Kinetics of Perfluorobutane Sulfonic Acid (Pfbs), Perfluorooctane Sulfonic Acid (Pfos) And Perfluorooctanoic Acid (Pfoa)". https://doi.org/10.2139/ssrn.4739645
Bolaji, Oyeyemi, Ziwei, Han, Jenny, Zenobio et al.. (2023). "Perfluorooctanoic acid dominates the molecular-level effects of a trace mixture of perfluorooctanoic acid and perfluorooctane sulfonic acid in earthworm". https://doi.org/10.26434/chemrxiv-2023-2kz86
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 78 items
All scientific sources cited in the accordions above for CAS 2795-39-3. Format: Chicago Manual of Style 17th ed., Author-Date system.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 2795-39-3. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
PubChem. n.d. PubChem Compound Summary: CAS 2795-39-3. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=2795-39-3.
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
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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.
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European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
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United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
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Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
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📜 License & provenancePREDICTED MODEL · NOT VERIFIED
PREDICTED MODEL — NOT VERIFIED computed by MolGod Scientific · experimental feature (beta) · may contain errors ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data
No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.
This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.
Methods and references
RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
