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Substance Name: Ethyl alpha-acetylcinnamate
RN: 620-80-4
UNII: 7GF90UOL9N
InChIKey: AYZGINZXVVKWKV-FMIVXFBMSA-N

Molecular Weight

  • 218.2506
 
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Names and Synonyms

Name of Substance

  • Ethyl alpha-acetylcinnamate

Synonyms

  • 3-Oxo-2-(phenylmethylene)butanoic acid ethyl ester
  • Butanoic acid, 3-oxo-2-(phenylmethylene)-, ethyl ester
  • Cinnamic acid, alpha-acetyl-, ethyl ester
  • Ethyl 2-benzylideneacetoacetate
  • Ethyl benzylideneacetoacetate
  • FEMA No. 4597
  • NSC-68527
  • UNII-7GF90UOL9N

Registry Numbers

CAS Registry Number

  • 620-80-4

FDA UNII

  • 7GF90UOL9N

System Generated Number

  • 0000620804

Structure Descriptors

InChI

1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+

InChIKey

AYZGINZXVVKWKV-FMIVXFBMSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60.5 deg C   EXP
Boiling Point 296 deg C   EXP
log P (octanol-water) 2.21 (none)   EXP
Water Solubility 456 mg/L 25 EST
Vapor Pressure 3.73E-04 mm Hg 25 EST
Henry's Law Constant 2.33E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.10E-11 cm3/molecule-sec 25 EST

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