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Substance Name: Benzoic acid, 4-hexyl-
RN: 21643-38-9
InChIKey: CPEPWESLFZVUEP-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-O2

Molecular Weight

  • 206.283
 
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Names and Synonyms

Synonyms

  • 4-09-00-01934 (Beilstein Handbook Reference)
  • 4-Hexylbenzoic acid
  • 4-n-Hexylbenzoic acid
  • Benzoic acid, 4-hexyl-
  • Benzoic acid, p-hexyl-
  • BRN 2046454
  • EINECS 244-490-6
  • NSC 172887
  • p-Hexylbenzoic acid
  • p-n-Hexylbenzoic acid

Systematic Names

  • 4-Hexylbenzoic acid
  • Benzoic acid, 4-hexyl-
  • Benzoic acid, p-hexyl-

Registry Numbers

CAS Registry Number

  • 21643-38-9

System Generated Number

  • 0021643389

Structure Descriptors

InChI

1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)

InChIKey

CPEPWESLFZVUEP-UHFFFAOYSA-N

Smiles

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

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#09965,