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
Canonical 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.
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.)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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