1763-23-1
Product Name:
Perfluorooctanesulfonic acid
Formula:
C8HF17O3S
Synonyms:
Perfluorooctanesulfonic acid;PFOS
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [HSDB] Off-white to grey liquid; [MSDSonline] |
|---|---|
| Color/Form | Liquid |
| Boiling Point | 249 °C |
| Flash Point | 11 °C - closed cup |
| Solubility | The surface active properties of the potassium salt of PFOS make a direct determination of the octanol-water partition coefficient impossible. In a preliminary study reported by 3M an inseparable emulsion was formed. 3M determined the solubility of PFOS (K salt) in octanol as 56 mg/L, and calculated the log Kow from the ratio of solubilities, giving a log Kow value of -1.08. /Potassium salt/ |
| Vapor Pressure | VP: 3.31X10-4 Pa at 20 °C (2.48X10-6 mm Hg) measured by OECD Method 104 ... however, a note in the 3M assessment comments that this result is thought to be due to volatile impurities in the substance. /Perfluorooctane sulfonic acid, potassium salt/ |
| LogP | The log Kow is not measurable since PFOS forms multiple layers in an octanol-water mixture |
| Henry's Law Constant | Henry's Law constant (potassium salt): direct measurement by 3M found the air-water partition coefficient to be very low and much less than the Henry's Law constant of water (4.34X10-7 atm-cu m/mol). /Perfluorooctane sulfonic acid, potassium salt/ |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic vapors of /sulfur oxides/ and /fluorine/. |
| Ionization Efficiency | Negative |
| Dissociation Constants | pKa = <1.0 |
| Collision Cross Section | 168.27 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
| Other Experimental Properties | When heated to decomposition it emits toxic vapors of SOx and F(-). |
| Chemical Classes | PFAS |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H351:Carcinogenicity H362:Reproductive toxicity, effects on or via lactation H372:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P263:Avoid contact during pregnancy/while nursing. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 500.13 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 7 |
| Exact Mass | 499.9374938 g/mol |
| Monoisotopic Mass | 499.9374938 g/mol |
| Topological Polar Surface Area | 62.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 727 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Perfluorooctane-1-sulfonic acid is a perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. It has a role as an antilipemic drug and a persistent organic pollutant. It is functionally related to an octane-1-sulfonic acid.