Perfluorooctanoic acid - CAS 335-67-1

Catalog:	BB021777
Product Name:	Perfluorooctanoic acid
CAS:	335-67-1
Synonyms:	2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
Application:	Used to produce fire-fighting applications, cosmetics, greases, lubricants, paints, polishes, and adhesives.

Technical Data

IUPAC Name:	2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
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.
Molecular Weight:	414.07
Molecular Formula:	C8HF15O2
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 ℃
Melting Point:	56 ℃
Flash Point:	189-192℃
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
Storage:	-20 ℃ Freezer, Under inert atmosphere
Decomposition:	When heated to decomposition it emits toxic vapors of /flourine
MDL:	MFCD00004174
LogP:	4.44510
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.15 [mmHg]

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
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

Publication Number	Title	Priority Date
CN-113462350-A	Weather-resistant adhesive	20210824
CN-113419013-A	Method for analyzing perfluoroalkyl acid pollutants in environmental water sample and application	20210811
CN-113493242-A	plasma-CaO for synchronously removing organic matters and phosphate radicals2Method	20210809
CN-113426430-A	Intelligent oil-water separation material and preparation method and application thereof	20210730
CN-113501903-A	Preparation method of high-elasticity fluororubber raw rubber	20210730

PMID	Publication Date	Title	Journal
34500360	20211201	Exposure to per- and polyfluoroalkyl substances associates with an altered lipid composition of breast milk	Environment international
34695511	20211201	Transcriptional effects of binary combinations of PFAS in FaO cells	Toxicology
34246126	20211101	Varied thyroid disrupting effects of perfluorooctanoic acid (PFOA) and its novel alternatives hexafluoropropylene-oxide-dimer-acid (GenX) and ammonium 4,8-dioxa-3H-perfluorononanoate (ADONA) in vitro	Environment international
34371090	20211001	Effects of an environmentally relevant PFAS mixture on dopamine and steroid hormone levels in exposed mice	Toxicology and applied pharmacology
34252412	20210901	Perfluorooctanoic acid induces liver and serum dyslipidemia in humanized PPARα mice fed an American diet	Toxicology and applied pharmacology

Complexity:	530
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	413.9737017
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	17
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	413.9737017
Rotatable Bond Count:	6
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9