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Substance Name: Isoamyl Cinnamate
RN: 7779-65-9
UNII: AB60R20S7J
InChIKey: JFHCDEYLWGVZMX-CMDGGOBGSA-N

Molecular Formula

  • C14-H18-O2

Molecular Weight

  • 218.2942
 
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Names and Synonyms

Name of Substance

  • Isoamyl cinnamate

Synonyms

  • 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester
  • 3-Methylbutyl 3-phenyl-2-propenoate
  • Cinnamic acid, isopentyl ester
  • EINECS 231-931-2
  • FEMA No. 2063
  • Isoamyl 3-phenyl propenoate
  • Isoamyl beta-phenylacrylate
  • Isoamyl cinnamate
  • Isoamyl cinnamate (natural)
  • Isopentyl 3-phenylacrylate
  • Isopentyl 3-phenylpropenoate
  • Isopentyl alcohol, cinnamate
  • Isopentyl beta-phenylacrylate
  • Isopentyl cinnamate
  • UNII-AB60R20S7J

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester
  • Cinnamic acid, isopentyl ester (8CI)
  • Isopentyl cinnamate

Superlist Name

  • Isoamyl cinnamate

Registry Numbers

CAS Registry Number

  • 7779-65-9

FDA UNII

  • AB60R20S7J

System Generated Number

  • 0007779659

Structure Descriptors

InChI

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

InChIKey

JFHCDEYLWGVZMX-CMDGGOBGSA-N

Smiles

CC(C)CCOC(=O)/C=C/c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 709, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 709, 1975.