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Substance Name: Phenethyl benzoate
RN: 94-47-3
UNII: 0C143929GK
InChIKey: OSORMYZMWHVFOZ-UHFFFAOYSA-N

Molecular Formula

  • C15-H14-O2

Molecular Weight

  • 226.274
 
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Names and Synonyms

Results Name

  • Phenethyl benzoate

Name of Substance

  • Phenethyl benzoate

Synonyms

  • 2-Fenylethylester kyseliny benzoove
  • 2-Fenylethylester kyseliny benzoove [Czech]
  • 2-Phenylethyl benzoate
  • 4-09-00-00308 (Beilstein Handbook Reference)
  • AI3-01813
  • Benzoic acid, 2-phenylethyl ester
  • Benzoic acid, phenethyl ester
  • Benzyl carbinyl benzoate
  • Benzylcarbinyl benzoate
  • BRN 2052132
  • EINECS 202-336-5
  • FEMA No. 2860
  • NSC 24096
  • Phenethyl alcohol, benzoate
  • Phenethyl benzoate
  • Phenethylbenzoate
  • Phenylethyl benzoate
  • UNII-0C143929GK

Systematic Names

  • Benzoic acid, 2-phenylethyl ester
  • Benzoic acid, phenethyl ester
  • Phenethyl benzoate

Superlist Name

  • Phenethyl benzoate

Registry Numbers

CAS Registry Number

  • 94-47-3

FDA UNII

  • 0C143929GK

System Generated Number

  • 0000094473

Structure Descriptors

InChI

1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2

InChIKey

OSORMYZMWHVFOZ-UHFFFAOYSA-N

Smiles

c1(C(OCCc2ccccc2)=O)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. 905, 1975.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 905, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.01 (none)   EXP
Water Solubility 12 mg/L 25 EST
Vapor Pressure 1.10E-04 mm Hg 25 EST
Henry's Law Constant 3.72E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.46E-12 cm3/molecule-sec 25 EST

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