Perfluorooctanoic acid
Product Information
Molecular Formula
C8HF15O2
Molecular Weight
414.07
Description
Applications: Pentadecafluorooctanoic Acid is used to produce fluoropolymers. Studies showed that Pentadecafluorooctanoic Acid exhibits a long half-life in human blood and interferes with the binding between liver-fatty acid binding protein and fatty acids. Pentadecafluorooctanoic Acid also induce hepatic peroxisome proliferation in rodents.Dangerous Goods Info: Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
SMILES
C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
InChI Key
SNGREZUHAYWORS-UHFFFAOYSA-N
Boiling Point
189 °C
Melting Point
56 °C
Flash Point
189-192°C
Purity
> 98.0 % (T)
Density
1.7 g/cm3
Solubility
When heated to decomposition it emits toxic vapors of F(-)
Appearance
White to almost white powder to crystal
Application
Used to produce fire-fighting applications, cosmetics, greases, lubricants, paints, polishes, and adhesives.
Storage
-20 °C Freezer, Under inert atmosphere
Stability
Stable under recommended storage conditions
LogP
4.44510
Vapor Pressure
0.15 [mmHg]
Henry's Law Constant
9.08X10-2 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits toxic vapors of /flourine
Dissociation Constants
pKa = 1.30
Safety Information
Hazards
H290:
May be corrosive to metals.
H302+H332:
Harmful if swallowed.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H351:
Suspected of causing cancer.
H360:
May damage fertility or the unborn child.
H362:
May cause harm to breast-fed children.
H372:
Causes damage to organs through prolonged or repeated exposure.
May be corrosive to metals.
H302+H332:
Harmful if swallowed.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H351:
Suspected of causing cancer.
H360:
May damage fertility or the unborn child.
H362:
May cause harm to breast-fed children.
H372:
Causes damage to organs through prolonged or repeated exposure.
Precautionary Statement
P201, P202, P260, P261, P263, P264, P270, P271, P280, P281, P301+P312, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P314, P330, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
4.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
17
Rotatable Bond Count
6
Exact Mass
413.9737017 g/mol
Monoisotopic Mass
413.9737017 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
530
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-10844285-B1 | Remediation of organic wastes by thermal degradation of polyfluoroalkyl and microplastic contaminants | 2020-05-21 |
| US-2021047256-A1 | Method for degrading perfluorinated compounds | 2020-01-14 |
| WO-2021127346-A1 | Fluorinated copolymer and compositions and articles including the same | 2019-12-20 |
| WO-2021124311-A1 | Method for producing low molecular weight polytetrafluoroethylene (ptfe), low molecular weight ptfe and composition | 2019-12-19 |
| WO-2021125412-A1 | Defect-suppressed metal halide perovskite luminescent material, and light-emitting diode comprising same | 2019-12-16 |
| WO-2021115075-A1 | Method for constructing internal exposure model of perfluorinated compound of zebrafish embryo and application thereof | 2019-12-13 |
| EP-3835071-A1 | Silver paste and coatings made therefrom | 2019-12-12 |
| US-2021179881-A1 | Silver paste and coatings produced therefrom | 2019-12-12 |
| US-2021172915-A1 | Determination of concentrations and amounts of perfluoroalkyl substances by lc/ms/ms | 2019-12-10 |
| US-2021175021-A1 | Solid Electrolytic Capacitor Containing a Pre-Coat and Intrinsically Conductive Polymer | 2019-12-10 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 36638633 | 2023-03-01 | Per- and polyfluoroalkyl substances (PFAS) inhibit cytochrome P450 CYP3A7 through direct coordination to the heme iron and water displacement | Journal of inorganic biochemistry |
| 36356740 | 2023-02-01 | Impacts of PFOAC8, GenXC6, and their mixtures on zebrafish developmental toxicity and gene expression provide insight about tumor-related disease | The Science of the total environment |
| 36436258 | 2022-12-15 | Transcriptional pathways linked to fetal and maternal hepatic dysfunction caused by gestational exposure to perfluorooctanoic acid (PFOA) or hexafluoropropylene oxide-dimer acid (HFPO-DA or GenX) in CD-1 mice | Ecotoxicology and environmental safety |
| 36115532 | 2022-12-01 | Exposure to low-dose perfluorooctanoic acid promotes hepatic steatosis and disrupts the hepatic transcriptome in mice | Molecular metabolism |
| 36270329 | 2022-12-01 | Exposure to a mixture of per-and polyfluoroalkyl substances modulates pulmonary expression of ACE2 and circulating hormones and cytokines | Toxicology and applied pharmacology |
| 36214631 | 2022-11-23 | PFOA-Induced Ovotoxicity Differs Between Lean and Obese Mice With Impacts on Ovarian Reproductive and DNA Damage Sensing and Repair Proteins | Toxicological sciences : an official journal of the Society of Toxicology |
| 36152675 | 2022-11-01 | Perfluorooctanoic acid (PFOA) promotes follicular growth and alters expression of genes that regulate the cell cycle and the Hippo pathway in cultured neonatal mouse ovaries | Toxicology and applied pharmacology |
| 35752307 | 2022-08-15 | In vitro activity of a panel of per- and polyfluoroalkyl substances (PFAS), fatty acids, and pharmaceuticals in peroxisome proliferator-activated receptor (PPAR) alpha, PPAR gamma, and estrogen receptor assays | Toxicology and applied pharmacology |
| 35690182 | 2022-08-01 | Use of transcriptomics in hazard identification and next generation risk assessment: A case study with clothianidin | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 35346789 | 2022-06-01 | Perfluorooctanoic acid promotes proliferation of the human granulosa cell line HGrC1 and alters expression of cell cycle genes and Hippo pathway effector YAP1 | Reproductive toxicology (Elmsford, N.Y.) |
