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Substance Name: Octanoic acid, 3,7-dimethyl-7-phenyl-
RN: 93156-68-4
InChIKey: UFKZMQRFWRINLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-O2

Molecular Weight

  • 248.364
 
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Names and Synonyms

Synonyms

  • 3,7-Dimethyl-7-phenyloctanoic acid
  • 4-09-00-01974 (Beilstein Handbook Reference)
  • BRN 3309359

Systematic Name

  • Octanoic acid, 3,7-dimethyl-7-phenyl-

Registry Numbers

CAS Registry Number

  • 93156-68-4

System Generated Number

  • 0093156684

Structure Descriptors

InChI

1S/C16H24O2/c1-13(12-15(17)18)8-7-11-16(2,3)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,17,18)

InChIKey

UFKZMQRFWRINLL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 720mg/kg (720mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.