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Substance Name: Phenethyl butyrate
RN: 103-52-6
UNII: 02E08ZN98R
InChIKey: WFNDDSQUKATKNX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Name of Substance

  • Phenethyl butyrate

Synonyms

  • 2-Phenethyl butanoate
  • 2-Phenylethyl butanoate
  • 2-Phenylethyl butyrate
  • 4-06-00-03073 (Beilstein Handbook Reference)
  • AI3-02954
  • Benzylcarbinyl 2-methylpropanoate
  • Benzylcarbinyl butyrate
  • beta-Phenethyl n-butanoate
  • BRN 1955788
  • Butanoic acid, 2-phenylethyl ester
  • Butyric acid, phenethyl ester
  • EINECS 203-119-8
  • FEMA No. 2861
  • NSC 1271
  • Phenethyl 2-methylpropanoate
  • Phenethyl butanoate
  • Phenethyl butyrate
  • Phenethyl butyrate (natural)
  • Phenylethyl butyrate
  • UNII-02E08ZN98R

Systematic Names

  • Butanoic acid, 2-phenylethyl ester
  • Butyric acid, phenethyl ester
  • Phenethyl butyrate

Superlist Name

  • Phenethyl butyrate

Registry Numbers

CAS Registry Number

  • 103-52-6

FDA UNII

  • 02E08ZN98R

System Generated Number

  • 0000103526

Structure Descriptors

InChI

1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

InChIKey

WFNDDSQUKATKNX-UHFFFAOYSA-N

Smiles

c1(CCOC(CCC)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5mL/kg (5mL/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 889, 1979.
rabbit LDLo oral 2gm/kg (2000mg/kg)   Journal of Economic Entomology. Vol. 48, Pg. 139, 1955.
rat LD50 oral 4600uL/kg (4.6mL/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 889, 1979.