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Substance Name: Benzyl cinnamate
RN: 103-41-3
UNII: V67O3RO97U
InChIKey: NGHOLYJTSCBCGC-VAWYXSNFSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C16-H14-O2

Molecular Weight

  • 238.2846
 
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Names and Synonyms

Name of Substance

  • 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
  • Benzyl cinnamate
  • Cinnamein
  • Phenylmethyl 3-phenyl-2-propenoate

Synonyms

  • 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
  • 3-Phenyl-2-propenoic acid phenylmethyl ester
  • AI3-01268
  • Benzyl 3-phenylpropenoate
  • Benzyl alcohol, cinnamate
  • Benzyl alcohol, cinnamic ester
  • Benzyl cinnamate
  • Benzyl gamma-phenylacrylate
  • Benzyl-3-phenylpropenoate
  • Benzylcinnamate
  • Benzylcinnamoate
  • Benzylester kyseliny skoricove
  • Benzylester kyseliny skoricove [Czech]
  • Cinnamein
  • EINECS 203-109-3
  • FEMA No. 2142
  • HSDB 359
  • NSC 11780
  • Phenylmethyl 3-phenyl-2-propenoate
  • trans-Cinnamic acid benzyl ester
  • UNII-V67O3RO97U

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, phenylmethyl ester
  • Benzyl cinnamate
  • Cinnamic acid, benzyl ester

Superlist Name

  • Benzyl cinnamate

Registry Numbers

CAS Registry Number

  • 103-41-3

FDA UNII

  • V67O3RO97U

Other Registry Number

  • 8014-16-2

System Generated Number

  • 0000103413

Structure Descriptors

InChI

1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+

InChIKey

NGHOLYJTSCBCGC-VAWYXSNFSA-N

Smiles

c1(/C=C/C(=O)OCc2ccccc2)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3760mg/kg (3760mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: GASTRITIS
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral 5530mg/kg (5530mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 39 deg C   EXP
Boiling Point 350 deg C   EXP
log P (octanol-water) 4.060 (none)   EST
Water Solubility 9.270 mg/L 25 EST
Henry's Law Constant 3.34E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.79E-11 cm3/molecule-sec 25 EST

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