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Substance Name: Ethyl phenylacetate
RN: 101-97-3
UNII: V6CNZ04D8O
InChIKey: DULCUDSUACXJJC-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H12-O2

Molecular Weight

  • 164.2028
 
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Names and Synonyms

Results Name

  • Ethyl phenylacetate

Name of Substance

  • Benzeneacetic acid, ethyl ester
  • Ethyl benzeneacetate
  • Ethyl phenylacetate

Synonyms

  • 4-09-00-01618 (Beilstein Handbook Reference)
  • Acetic acid, phenyl-, ethyl ester
  • AI3-00654
  • alpha-Toluic acid, ethyl ester
  • Benzeneacetic acid, ethyl ester
  • BRN 0509140
  • EC 202-993-8
  • EINECS 202-993-8
  • Ethyl 2-phenylethanoate
  • Ethyl alpha-toluate
  • Ethyl benzeneacetate
  • Ethyl phenacetate
  • Ethyl phenylacetate
  • Ethyl phenylethanoate
  • FEMA No. 2452
  • NSC 406259
  • Phenylacetic acid, ethyl ester
  • UNII-V6CNZ04D8O

Systematic Names

  • Acetic acid, phenyl-, ethyl ester
  • Benzeneacetic acid, ethyl ester
  • Ethyl phenylacetate

Superlist Name

  • Ethyl phenylacetate

Registry Numbers

CAS Registry Number

  • 101-97-3

FDA UNII

  • V6CNZ04D8O

System Generated Number

  • 0000101973

Structure Descriptors

InChI

1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

DULCUDSUACXJJC-UHFFFAOYSA-N

Smiles

CCOC(=O)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3300mg/kg (3300mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 99, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.94E+01 deg C   EXP
Boiling Point 227 deg C   EXP
log P (octanol-water) 2.28 (none)   EXP
Water Solubility 739 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 5.19E-12 cm3/molecule-sec 25 EST

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