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Substance Name: Benzoic acid, p-(2-methylpentyl)
RN: 38861-90-4
InChIKey: ITAISUHROJYPGX-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-O2

Molecular Weight

  • 206.283
 
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Names and Synonyms

Synonyms

  • 4-(2-Methylpentyl)benzoic acid
  • BRN 2208937
  • NSC 173005

Systematic Name

  • Benzoic acid, p-(2-methylpentyl)

Registry Numbers

CAS Registry Number

  • 38861-90-4

System Generated Number

  • 0038861904

Structure Descriptors

InChI

1S/C13H18O2/c1-3-4-10(2)9-11-5-7-12(8-6-11)13(14)15/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)

InChIKey

ITAISUHROJYPGX-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)C[C@@H](CCC)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09993,