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Substance Name: Benzoic acid, 4-pentyl-
RN: 26311-45-5
InChIKey: CWYNKKGQJYAHQG-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Synonyms

  • 3-09-00-02551 (Beilstein Handbook Reference)
  • 4-Amylbenzoic acid
  • 4-n-Pentylbenzoic acid
  • 4-Pentylbenzoic acid
  • BRN 2044798
  • EINECS 247-607-9
  • NSC 169024
  • p-Amylbenzoic acid
  • p-Pentylbenzoic acid
  • Para-Pentylbenzoic acid

Systematic Names

  • 4-Pentylbenzoic acid
  • Benzoic acid, 4-pentyl-
  • Benzoic acid, p-pentyl-

Registry Numbers

CAS Registry Number

  • 26311-45-5

System Generated Number

  • 0026311455

Structure Descriptors

InChI

1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)

InChIKey

CWYNKKGQJYAHQG-UHFFFAOYSA-N

Smiles

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

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#10073,