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Perfluoroundecanoic acid

Perfluoroundecanoic acid structure

CAS No:
2058-94-8
Formula:
C11HF21O2
Chemical Name:
Perfluoroundecanoic acid
Synonyms:
Undecanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heneicosafluoro-;Undecanoic acid,heneicosafluoro-;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid;Perfluoroundecylic acid;Heneicosafluoroundecanoic acid;Perfluoroundecanoic acid;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid;PFUnDA;PFUnA;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecanoic acid;110961-38-1
Categories:
Organic Chemistry > Coordination Complexes

Description

Perfluoroundecanoic acid exists as a colorless solid. Perfluoroundecanoic acid has the ability to react with oxidizing agents. Upon decomposition, PFUnA can form carbon oxides and hydrogen fluoride.

Perfluoroundecanoic acid is a fluoroalkanoic acid that is perfluorinated undecanoic acid. It has a role as a xenobiotic and an environmental contaminant. It derives from an undecanoic acid.

Perfluoroundecanoic acid Basic Attributes

Molecular Weight：

564.09100

Exact Mass：

564.09

EC Number：

218-165-4

DSSTox ID：

DTXSID8047553

HScode：

2915900090

Characteristics

PSA：

37.30000

XLogP3：

6.35100

Density：

1.764g/cm3

Melting Point：

96-101ºC(lit.)

Boiling Point：

229.5ºC at 760 mmHg ,160ºC60 mm Hg(lit.)

Flash Point：

92.6ºC

Refractive Index：

1.288

Vapor Pressure：

-1.65 ± 0.02 [log Psd at 298.15 K (Pa)]

Collision Cross Section：

182.86 Å² [M-H]-

Safety Information

Transport codes：

UN 3261

wgk germany：

hazard class code：

R20/21/22

safety instructions：

26-36/37/39

Marks：

Xn: Harmful;

Precautionary statement(s)：

P301 + P312 + P330-P305 + P351 + P338

Hazard Statements：

H302-H315-H319

GHS Classification：

|Warning|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

C11-PFA

Perfluoroundecanoic acid Use and Manufacturing

Uses

Perfluoroundecanoic acid (PFUnA, perfluoro-n-undecanoic acid, henicosafluoroundecanoic acid) is an eleven-carbon compound in the perfluoroalkyl family of chemicals. Perfluoroundecanoic acid is used in a variety of applications, including in stain- and grease-proof coatings on food packages, furniture, upholstery, and carpet. Like many other perfluoroalkyl compounds, PFUnA persists in the environment due to its long carbon chain. Some research related to PFUnA has been conducted but additional inquiry is recommended for better understanding of how the chemical interacts with organisms and the environment.

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category|PFAS

Computed Properties

Molecular Weight:564.09
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:9
Exact Mass:563.9641207
Monoisotopic Mass:563.9641207
Topological Polar Surface Area:37.3
Heavy Atom Count:34
Complexity:789
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Perfluoroundecanoic acid 99% kanbei

CAS No.: 2058-94-8

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