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Substance Name: Phenethyl formate
RN: 104-62-1
UNII: 3X97A637DJ
InChIKey: IKDIJXDZEYHZSD-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • Phenethyl formate

Synonyms

  • 2-Fenylethylester kyseliny mravenci
  • 2-Fenylethylester kyseliny mravenci [Czech]
  • 2-Phenethyl formate
  • 2-Phenethyl methanoate
  • 2-Phenylethyl formate
  • 4-06-00-03073 (Beilstein Handbook Reference)
  • AI3-18542
  • Benzeneethanol, formate
  • Benzylcarbinyl formate
  • Benzylcarbinyl methanoate
  • BRN 2044524
  • EINECS 203-220-7
  • FEMA No. 2864
  • Formic acid, 2-phenylethyl ester
  • Formic acid, phenethyl ester
  • NSC 404456
  • Phenethyl alcohol, formate
  • Phenethyl formate
  • Phenethyl formate (natural)
  • Phenylethyl formate
  • UNII-3X97A637DJ

Systematic Names

  • Formic acid, 2-phenylethyl ester
  • Formic acid, phenethyl ester
  • Phenethyl alcohol, formate (8CI)
  • Phenethyl formate

Superlist Name

  • Phenethyl formate

Registry Numbers

CAS Registry Number

  • 104-62-1

FDA UNII

  • 3X97A637DJ

System Generated Number

  • 0000104621

Structure Descriptors

InChI

1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey

IKDIJXDZEYHZSD-UHFFFAOYSA-N

Smiles

c1(CCOC=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. 12, Pg. 959, 1974.
rat LD50 oral 3220mg/kg (3220mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 959, 1974.