十五氟辛酸

Description

Pentadecafluorooctanoic acid · CAS 335-67-1 · C8HF15O2. UNII 947VD76D3L. Boiling Point: 192 °C; Boiling Point: 189 °C; Boiling Point: 189 °C @760 [mm Hg].

Identification

CAS Registry Number	335-67-1
PubChem CID	9554
Molecular formula	C8HF15O2
IUPAC name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
UNII (FDA)	947VD76D3L

Computed Descriptors

Molecular Weight	414.07
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	6
Exact Mass	413.9737017
Monoisotopic Mass	413.9737017
Topological Polar Surface Area	37.3
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Boiling Point	192 °C
Boiling Point	189 °C
Boiling Point	189 °C @760 [mm Hg]
Melting Point	54.3 °C
Melting Point	52-54 °C
Solubility	In water, 3300 mg/L at 25 °C
Solubility	In water, 4340 mg/L at 24.1 °C
Density	1.792 g/mL at 20 °C
Density	1.79 g/cm³
Density	1.792 @ 20°C

Physical description & handling notes

• White solid with pungent odor; [ICSC] White or cream crystalline solid; [MSDSonline]
• WHITE POWDER WITH PUNGENT ODOUR.
• White to off-white powder
• When heated to decomposition it emits toxic vapors of F(-).
• Solubility in water: none
• Stable under recommended storage conditions.

Regulatory Status

Regulatory & Food Contact	CONTAMINANT; Food Contaminant ->: Food Contaminant

GHS Hazard Classification

Reported hazard statements	H302, H318, H332, H351, H362, H372, H314 (31.8%), H360 (68.2%)

Documented Uses

• Used to produce fire-fighting applications, cosmetics, greases, lubricants, paints, polishes, and adhesives; [HSDB]
• . . . major US manufacturers of AFFF [aqueous film-forming foam] indicated they would no longer produce PFOA-based fluorosurfactant foams after 2015. [PMID 31045850]
• In fire-fighting applications, cosmetics, greases and lubricants, paints, polishes and adhesives /Fluorinated surfactants/
• Long-chain perfluoroalkanecarboxylic acids and their salts are surface-active chemicals (surfactants), which greatly reduce the surface tension (surface energy) of water, aqueous solutions, and organic liquids even at low concentrations. These acids (C6- C12) and derivatives are used as wetting, dispersing, emulsifying, and foaming agents. /Long-chain perfluoroalkanecarboxylic acids/
• non-polymer PFAS -> Sports articles -> Bicycle lubricant
• non-polymer PFAS -> Sports articles -> Ski wax

Synonyms

PERFLUOROOCTANOIC ACID; 335-67-1; Pentadecafluorooctanoic acid; PFOA; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid; Perfluorocaprylic acid; Perfluoroctanoic acid; Perfluoroheptanecarboxylic acid; Perfluoro-n-octanoic acid; Pentadecafluoro-1-octanoic acid; Pentadecafluoro-n-octanoic acid; DTXSID8031865; NSC 95114; AI3-19341; 947VD76D3L; Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-

Frequently Asked Questions

What are the CAS number and molecular formula of Pentadecafluorooctanoic acid?

CAS 335-67-1; molecular formula C8HF15O2; molecular weight — g/mol.

What other names is Pentadecafluorooctanoic acid known by?

PERFLUOROOCTANOIC ACID, 335-67-1, Pentadecafluorooctanoic acid, PFOA, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid, Perfluorocaprylic acid.

What is the regulatory status of Pentadecafluorooctanoic acid?

Documented regulatory listings: CONTAMINANT; Food Contaminant ->: Food Contaminant.

Is Pentadecafluorooctanoic acid classified as hazardous?

Hazard statements reported: H302, H318, H332, H351, H362.

What are the key physical properties of Pentadecafluorooctanoic acid?

Boiling Point: 192 °C; Boiling Point: 189 °C; Boiling Point: 189 °C @760 [mm Hg]; Melting Point: 54.3 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.