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Substance Name: 2-Octenoic acid, 3,7-dimethyl-7-phenyl-
RN: 93163-47-4
InChIKey: ZHNWDZZPTMYOST-SEYXRHQNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O2

Molecular Weight

  • 246.348
 
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Names and Synonyms

Synonyms

  • 3,7-Dimethyl-7-phenyl-2-octenoic acid
  • 4-09-00-02164 (Beilstein Handbook Reference)
  • BRN 3308564

Systematic Name

  • 2-Octenoic acid, 3,7-dimethyl-7-phenyl-

Registry Numbers

CAS Registry Number

  • 93163-47-4

System Generated Number

  • 0093163474

Structure Descriptors

InChI

1S/C16H22O2/c1-13(12-15(17)18)8-7-11-16(2,3)14-9-5-4-6-10-14/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,17,18)/b13-12-

InChIKey

ZHNWDZZPTMYOST-SEYXRHQNSA-N

Smiles

c1(C(CCC\C(=C/C(O)=O)C)(C)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 370mg/kg (370mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.