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Substance Name: Cinnamyl isobutyrate
RN: 103-59-3
InChIKey: KLKQSZIWHVEARN-RMKNXTFCSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H16-O2

Molecular Weight

  • 204.267
 
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Names and Synonyms

Name of Substance

  • Cinnamyl isobutyrate

Synonyms

  • 2-06-00-00527 (Beilstein Handbook Reference)
  • 2-Methyl-propanoic acid, 3-phenyl-2-propenyl ester
  • 3-Phenyl-2-propen-1-yl 2-methylpropanoate
  • 3-Phenyl-2-propen-1-yl isobutyrate
  • AI3-24262
  • BRN 3130772
  • Cinnamyl 2-methylpropanoate
  • Cinnamyl isobutyrate
  • EINECS 203-126-6
  • FEMA No. 2297
  • Isobutyric acid, cinnamyl ester
  • NSC 46133
  • Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester

Systematic Names

  • Cinnamyl isobutyrate
  • Isobutyric acid, cinnamyl ester
  • Propanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester
  • Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester

Superlist Name

  • Cinnamyl isobutyrate

Registry Numbers

CAS Registry Number

  • 103-59-3

System Generated Number

  • 0000103593

Structure Descriptors

InChI

1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+

InChIKey

KLKQSZIWHVEARN-RMKNXTFCSA-N

Smiles

c1(\C=C\COC(C(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. 17, Pg. 523, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 523, 1979.