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Substance Name: Ethyl 3-phenylpropionate
RN: 2021-28-5
UNII: 58E9Z9V64D
InChIKey: JAGZUIGGHGTFHO-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Name of Substance

  • Ethyl 3-phenylpropionate

Synonyms

  • AI3-11591
  • Benzenepropanoic acid, ethyl ester
  • EINECS 217-966-6
  • Ethyl 3-phenylpropanoate
  • Ethyl 3-phenylpropionate
  • Ethyl benzenepropanoate
  • Ethyl dihydrocinnamate
  • Ethyl hydrocinnamate
  • Ethylhydrocinnamoate
  • FEMA No. 2455
  • Hydrocinnamic acid, ethyl ester
  • NSC 126040
  • UNII-58E9Z9V64D

Systematic Names

  • Benzenepropanoic acid, ethyl ester
  • Ethyl 3-phenylpropionate
  • Hydrocinnamic acid, ethyl ester (8CI)

Superlist Name

  • Ethyl 3-phenylpropionate

Registry Numbers

CAS Registry Number

  • 2021-28-5

FDA UNII

  • 58E9Z9V64D

System Generated Number

  • 0002021285

Structure Descriptors

InChI

1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

JAGZUIGGHGTFHO-UHFFFAOYSA-N

Smiles

c1(CCC(OCC)=O)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 247.2 deg C   EXP
log P (octanol-water) 2.73 (none)   EXP
Water Solubility 220 mg/L 25 EXP
Vapor Pressure 0.024 mm Hg 25 EST
Henry's Law Constant 2.49E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.01E-12 cm3/molecule-sec 25 EST

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