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Substance Name: Ethyl cinnamate
RN: 103-36-6
UNII: C023P3M5JJ
InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N

Note

  • A pine weevil antifeedant.

Molecular Formula

  • C11-H12-O2

Molecular Weight

  • 176.214
 
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Names and Synonyms

Name of Substance

  • 2-Propenoic acid, 3-phenyl-, ethyl ester
  • 3-Phenyl-2-propenoic acid, ethyl ester
  • Ethyl 3-phenyl-2-propenoate
  • Ethyl cinnamate

Synonyms

  • 2-Propenoic acid, 3-phenyl-, ethyl ester
  • AI3-00667
  • BRN 1238804
  • Cinnamic acid ethyl ester
  • EINECS 203-104-6
  • Ethyl 3-phenyl-2-propenoate
  • Ethyl 3-phenylacrylate
  • Ethyl 3-phenylpropenoate
  • Ethyl benzylideneacetate
  • Ethyl beta-phenylacrylate
  • Ethyl cinnamate
  • Ethyl cinnamate (natural)
  • Ethyl trans-cinnamate
  • Ethylcinnamate
  • Ethylcinnamoate
  • FEMA No. 2430
  • NSC 6773
  • UNII-C023P3M5JJ

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, ethyl ester
  • Cinnamic acid, ethyl ester
  • Ethyl cinnamate

Registry Numbers

CAS Registry Number

  • 103-36-6

FDA UNII

  • C023P3M5JJ

Other Registry Number

  • 403649-38-7

System Generated Number

  • 0000103366

Structure Descriptors

InChI

InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

InChIKey

KBEBGUQPQBELIU-CMDGGOBGSA-N

Smiles

CCOC(=O)\C=C\c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 4gm/kg (4000mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LD50 oral 4gm/kg (4000mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 719, 1974.
rat LD50 oral 4gm/kg (4000mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 7 deg C   EXP
Boiling Point 271 deg C   EXP
log P (octanol-water) 2.99 (none)   EXP
Water Solubility 178 mg/L 25 EXP
Vapor Pressure 0.00327 mm Hg 25 EXP
Henry's Law Constant 4.26E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.32E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.