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Substance Name: p-Octylbenzoic acid
RN: 3575-31-3
UNII: PWH5I1J38K
InChIKey: ZQLDNJKHLQOJGE-UHFFFAOYSA-N

Molecular Formula

  • C15-H22-O2

Molecular Weight

  • 234.337
 
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Names and Synonyms

Name of Substance

  • p-Octylbenzoic acid

Synonyms

  • 4-09-00-01962 (Beilstein Handbook Reference)
  • 4-n-Octylbenzoic acid
  • 4-Octylbenzoic acid
  • Benzoic acid, 4-octyl-
  • Benzoic acid, p-octyl-
  • BRN 1954607
  • EINECS 222-692-5
  • NSC 173066
  • p-Octylbenzoic acid
  • Para-octylbenzoic acid
  • UNII-PWH5I1J38K

Systematic Names

  • Benzoic acid, 4-octyl-
  • Benzoic acid, p-octyl-
  • p-Octylbenzoic acid

Registry Numbers

CAS Registry Number

  • 3575-31-3

FDA UNII

  • PWH5I1J38K

Other Registry Number

  • 1042740-24-8

System Generated Number

  • 0003575313

Structure Descriptors

InChI

1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)

InChIKey

ZQLDNJKHLQOJGE-UHFFFAOYSA-N

Smiles

c1(ccc(C(O)=O)cc1)CCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#10074,