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Substance Name: Phenethyl phenylacetate
RN: 102-20-5
UNII: 5J5OJ7GH15
InChIKey: ZOZIRNMDEZKZHM-UHFFFAOYSA-N

Molecular Formula

  • C16-H16-O2

Molecular Weight

  • 240.3
 
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Names and Synonyms

Name of Substance

  • Phenethyl phenylacetate

Synonyms

  • 2-Phenylethyl alpha-toluate
  • 2-Phenylethyl benzeneacetate
  • 2-Phenylethyl phenylacetate
  • 3-09-00-02183 (Beilstein Handbook Reference)
  • Acetic acid, phenyl-, phenethyl ester
  • AI3-20106
  • Benzeneacetic acid, 2-phenylethyl ester
  • Benzylcarbinyl alpha-toluate
  • Benzylcarbinyl phenylacetate
  • BRN 2214383
  • EC 203-013-1
  • EINECS 203-013-1
  • FEMA No. 2866
  • NSC 6676
  • Phenethyl alpha-toluate
  • Phenethyl phenylacetate
  • Phenylacetic acid, phenethyl ester
  • Phenylethyl phenylacetate
  • UNII-5J5OJ7GH15

Systematic Names

  • Acetic acid, phenyl-, phenethyl ester
  • Benzeneacetic acid, 2-phenylethyl ester
  • Phenethyl phenylacetate

Superlist Name

  • Phenethyl phenylacetate

Registry Numbers

CAS Registry Number

  • 102-20-5

FDA UNII

  • 5J5OJ7GH15

System Generated Number

  • 0000102205

Structure Descriptors

InChI

1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2

InChIKey

ZOZIRNMDEZKZHM-UHFFFAOYSA-N

Smiles

c1(CC(OCCc2ccccc2)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3190mg/kg (3190mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LD50 oral 3190mg/kg (3190mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
rat LD50 oral 15gm/kg (15000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 26.5 deg C   EXP
log P (octanol-water) 4.280 (none)   EST
Atmospheric OH Rate Constant 1.14E-11 cm3/molecule-sec 25 EST

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