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Substance Name: Cinnamyl isovalerate
RN: 140-27-2
UNII: 5JHK9Y2XRM
InChIKey: FOCMOGKCPPTERB-RMKNXTFCSA-N

Molecular Formula

  • C14-H18-O2

Molecular Weight

  • 218.294
 
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Names and Synonyms

Results Name

  • Cinnamyl isovalerate

Name of Substance

  • Cinnamyl isovalerate

Synonyms

  • 2-06-00-00527 (Beilstein Handbook Reference)
  • 3-Methylbutanoic acid 3-phenyl-2-propenyl ester
  • 3-Phenyl-2-propenyl 3-methylbutanoate
  • 3-Phenylallyl 3-methylbutanoate
  • 3-Phenylallyl isovalerate
  • AI3-24272
  • BRN 3201227
  • Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester
  • Cinnamyl 3-methyl butyrate
  • Cinnamyl 3-methylbutanoate
  • Cinnamyl isovalerate
  • Cinnamyl isovalerianate
  • EINECS 205-407-9
  • FEMA No. 2302
  • Isovaleric acid, cinnamyl ester
  • NSC 46141
  • UNII-5JHK9Y2XRM

Systematic Names

  • Butanoic acid, 3-methyl-, 3-phenyl-2-propen-1-yl ester
  • Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester
  • Cinnamyl isovalerate
  • Isovaleric acid, cinnamyl ester (6CI,7CI,8CI)

Superlist Name

  • Cinnamyl isovalerate

Registry Numbers

CAS Registry Number

  • 140-27-2

FDA UNII

  • 5JHK9Y2XRM

System Generated Number

  • 0000140272

Structure Descriptors

InChI

1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+

InChIKey

FOCMOGKCPPTERB-RMKNXTFCSA-N

Smiles

c1(\C=C\COC(CC(C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 857, 1974.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 857, 1974.