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Substance Name: Ethyl alpha-benzylacetoacetate
RN: 620-79-1
UNII: 7K3AI5O6H2
InChIKey: XDWQYMXQMNUWID-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 220.2664
 
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Names and Synonyms

Name of Substance

  • Ethyl alpha-benzylacetoacetate

Synonyms

  • AI3-07790
  • Benzenepropanoic acid, alpha-acetyl-, ethyl ester
  • EINECS 210-651-4
  • Ethyl 2-acetyl-3-phenylpropionate
  • Ethyl 2-acetyldihydrocinnamate
  • Ethyl 2-benzylacetoacetate
  • Ethyl 3-oxo-2-benzylbutanoate
  • Ethyl alpha-acetylbenzenepropanoate
  • Ethyl alpha-acetylhydrocinnamate
  • Ethyl benzyl acetoacetate
  • FEMA No. 2416
  • Hydrocinnamic acid, alpha-acetyl-, ethyl ester
  • UNII-7K3AI5O6H2

Systematic Names

  • Benzenepropanoic acid, alpha-acetyl-, ethyl ester
  • Ethyl 2-benzylacetoacetate

Superlist Name

  • Ethyl 2-acetyl-3-phenylpropionate

Registry Numbers

CAS Registry Number

  • 620-79-1

FDA UNII

  • 7K3AI5O6H2

System Generated Number

  • 0000620791

Structure Descriptors

InChI

1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3

InChIKey

XDWQYMXQMNUWID-UHFFFAOYSA-N

Smiles

CCOC(=O)C(Cc1ccccc1)C(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 276 deg C   EXP
log P (octanol-water) 2.52 (none)   EXP
Water Solubility 242 mg/L 25 EST
Vapor Pressure 0.00124 mm Hg 25 EXP
Henry's Law Constant 1.68E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.08E-11 cm3/molecule-sec 25 EST

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