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Substance Name: Methyl 3-phenylpropionate
RN: 103-25-3
UNII: 111LC1GI10
InChIKey: RPUSRLKKXPQSGP-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-O2

Molecular Weight

  • 164.2028
 
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Names and Synonyms

Name of Substance

  • Methyl 3-phenylpropionate

Synonyms

  • AI3-02453
  • Benzenepropanoic acid, methyl ester
  • beta-Phenylpropionic acid methyl ester
  • EINECS 203-092-2
  • FEMA No. 2741
  • Hydrocinnamic acid, methyl ester
  • Methyl 3-phenylpropanoate
  • Methyl 3-phenylpropionate
  • Methyl benzenepropanoate
  • Methyl beta-phenylpropionate
  • Methyl dihydrocinnamate
  • Methyl hydrocinnamate
  • NSC 10128
  • UNII-111LC1GI10

Systematic Names

  • Benzenepropanoic acid, methyl ester
  • Hydrocinnamic acid, methyl ester (8CI)
  • Methyl 3-phenylpropionate

Superlist Name

  • Methyl 3-phenylpropionate

Registry Numbers

CAS Registry Number

  • 103-25-3

FDA UNII

  • 111LC1GI10

System Generated Number

  • 0000103253

Structure Descriptors

InChI

InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

RPUSRLKKXPQSGP-UHFFFAOYSA-N

Smiles

COC(=O)CCc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 238.5 deg C   EXP
log P (octanol-water) 2.32 (none)   EXP
Water Solubility 683 mg/L 25 EST
Vapor Pressure 0.062 mm Hg 25 EST
Henry's Law Constant 1.88E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.57E-12 cm3/molecule-sec 25 EST

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