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Substance Name: Methyl cinnamate
RN: 103-26-4
UNII: 533CV2ZCQL
InChIKey: CCRCUPLGCSFEDV-BQYQJAHWSA-N

Molecular Formula

  • C10-H10-O2

Molecular Weight

  • 162.187
 
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Names and Synonyms

Name of Substance

  • Methyl cinnamate

Synonyms

  • 2-Propenoic acid, 3-phenyl-, methyl ester
  • AI3-00579
  • Cinnamic acid methyl ester
  • EC 203-093-8
  • EINECS 203-093-8
  • FEMA No. 2698
  • Methyl 3-phenyl-2-propenoate
  • Methyl 3-phenylacrylate
  • Methyl 3-phenylpropenoate
  • Methyl cinnamate
  • Methyl cinnamate (natural)
  • Methyl cinnamylate
  • NSC 9411
  • SemaSORB 9815
  • UNII-533CV2ZCQL

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, methyl ester
  • Cinnamic acid, methyl ester
  • Methyl cinnamate

Superlist Name

  • Methyl cinnamate

Registry Numbers

CAS Registry Number

  • 103-26-4

FDA UNII

  • 533CV2ZCQL

Other Registry Number

  • 403649-70-7

System Generated Number

  • 0000103264

Structure Descriptors

InChI

1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChIKey

CCRCUPLGCSFEDV-BQYQJAHWSA-N

Smiles

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

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. 849, 1975.
rat LD50 oral 2610mg/kg (2610mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 849, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.62 (none)   EXP
Water Solubility 387 mg/L 25 EST
Vapor Pressure 0.047 mm Hg 25 EST
Henry's Law Constant 4.14E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.18E-11 cm3/molecule-sec 25 EST

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