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Substance Name: Octanoic acid, 3-benzyl-7-methyl-
RN: 93156-64-0
InChIKey: FJFYUNDWOMHNIM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-O2

Molecular Weight

  • 248.364
 
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Names and Synonyms

Synonyms

  • 3-Benzyl-7-methyloctanoic acid
  • 4-09-00-01973 (Beilstein Handbook Reference)
  • BRN 3295593

Systematic Name

  • Octanoic acid, 3-benzyl-7-methyl-

Registry Numbers

CAS Registry Number

  • 93156-64-0

System Generated Number

  • 0093156640

Structure Descriptors

InChI

1S/C16H24O2/c1-13(2)7-6-10-15(12-16(17)18)11-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,18)

InChIKey

FJFYUNDWOMHNIM-UHFFFAOYSA-N

Smiles

c1(C[C@@H](CCCC(C)C)CC(O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 136mg/kg (136mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.