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Substance Name: Perfluorooctanoic acid
RN: 335-67-1
UNII: 947VD76D3L
InChIKey: SNGREZUHAYWORS-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)
  • TSCA Flag SP (Substance is Identified in a Proposed Significant New Use Rule)

Molecular Formula

  • C8-H-F15-O2

Molecular Weight

  • 414.064
 
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Names and Synonyms

Name of Substance

  • Perfluorooctanoic acid

Synonyms

  • 4-02-00-00994 (Beilstein Handbook Reference)
  • AI3-19341
  • BRN 1809678
  • CCRIS 4386
  • EINECS 206-397-9
  • Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-
  • HSDB 7137
  • NSC 95114
  • Pentadecafluoro-1-octanoic acid
  • Pentadecafluoro-n-octanoic acid
  • Pentadecafluorooctanoic acid
  • Perfluorocaprylic acid
  • Perfluoroctanoic acid
  • Perfluoroheptanecarboxylic acid
  • Perfluorooctanoic acid
  • PFOA
  • UNII-947VD76D3L

Systematic Names

  • Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-
  • Octanoic acid, pentadecafluoro-
  • Pentadecafluorooctanoic acid
  • Perfluorooctanoic acid

Registry Numbers

CAS Registry Number

  • 335-67-1

FDA UNII

  • 947VD76D3L

Other Registry Numbers

  • 65618-66-8
  • 71244-15-0

Related Registry Numbers

  • 2395-00-8 (mono-potassium salt)
  • 33496-48-9 (anhydride)
  • 335-93-3 (mono-silver(1+) salt)
  • 335-95-5 (mono-hydrochloride salt)
  • 3825-26-1 (mono-ammonium salt)
  • 68141-02-6 (chromium(3+) salt)

System Generated Number

  • 0000335671

Structure Descriptors

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)

InChIKey

SNGREZUHAYWORS-UHFFFAOYSA-N

Smiles

OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 189mg/kg (189mg/kg)   Toxicology and Applied Pharmacology. Vol. 70, Pg. 362, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 53 deg C   EXP

Physical property data is provided to ChemIDplus by SRC, Inc.