全氟(2-甲基-3-氧己酸)

Description

Perfluoro(2-methyl-3-oxahexanoic) acid · CAS 13252-13-6 · C3F7OCF(CF3)COOH. UNII R8C5T5N5HN. Vapor Pressure: -1.49 ± 0.01 [log Psd at 298.15 K (Pa)]; Collision Cross Section: 126.89 Ų [M-H-CO2]-; Collision Cross Section: 198.61 Ų [2M-H]-.

Identification

CAS Registry Number	13252-13-6
PubChem CID	114481
Molecular formula	C3F7OCF(CF3)COOH
IUPAC name	2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
UNII (FDA)	R8C5T5N5HN

Computed Descriptors

Molecular Weight	330.05
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	4
Exact Mass	329.97500367
Monoisotopic Mass	329.97500367
Topological Polar Surface Area	46.5
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	-1.49 ± 0.01 [log Psd at 298.15 K (Pa)]
Collision Cross Section	126.89 Ų [M-H-CO2]-
Collision Cross Section	198.61 Ų [2M-H]-

Physical description & handling notes

• Liquid
• 85.4 ± 3.2 [ΔsubHb (kJ/mol) at 296.1-311.2 K]
• 127.5 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

Regulatory Status

GHS notification summary	40.7% (37 / 91)

GHS Hazard Classification

GHS notification summary	40.7% (37 / 91)
Reported hazard statements	H302 (53.8%), H314 (59.3%), H318 (52.7%), H335 (53.8%)

Documented Uses

• non-polymer PFAS -> Chemical Industry -> Fluoropolymer processing aid for polytetrafluoroethylene (PTFE)
• • Processing aid [Ref: DEP. 2011. Consent Order Issued under the Water Pollution Control Act to E. .I Du Pont de Nemours and Company.]
• • All other basic organic chemical manufacturing - processing aid [Ref: USEPA]
• PFAS (per- and polyfluoroalkyl substances) -> OECD Category
• PFAS (ether-substituted perfluoroalkyl (linear) caborxylic acids_i, n=3)
• PFAS -> PFalkylether carboxylic acids (PFECA)

Synonyms

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid; 2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propionic acid; Propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-; RefChem:441573; 236-236-8; 13252-13-6; 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid; PERFLUORO(2-METHYL-3-OXAHEXANOIC) ACID; GenX; Perfluoro-2-methyl-3-oxahexanoic acid; perfluoro-2-(propyloxy)propionic acid; HFPO-DA; hexafluoropropylene oxide dimer acid; DTXSID70880215; 2,3,3,3-tetrafluoro-2-(perfluoropropoxy)propanoic acid; MFCD00236734

Frequently Asked Questions

What are the CAS number and molecular formula of Perfluoro(2-methyl-3-oxahexanoic) acid?

CAS 13252-13-6; molecular formula C3F7OCF(CF3)COOH; molecular weight — g/mol.

What other names is Perfluoro(2-methyl-3-oxahexanoic) acid known by?

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid, 2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propionic acid, Propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-, RefChem:441573, 236-236-8, 13252-13-6.

Is Perfluoro(2-methyl-3-oxahexanoic) acid classified as hazardous?

40.7% of GHS notifications report no hazard classification (37 of 91).

What are the key physical properties of Perfluoro(2-methyl-3-oxahexanoic) acid?

Vapor Pressure: -1.49 ± 0.01 [log Psd at 298.15 K (Pa)]; Collision Cross Section: 126.89 Ų [M-H-CO2]-; Collision Cross Section: 198.61 Ų [2M-H]-.

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.