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Substance Name: Phenethyl 2-methylbutyrate
RN: 24817-51-4
UNII: 4D2I5SJ45Q
InChIKey: KVKKTLBBYFABAZ-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-O2

Molecular Weight

  • 206.2832
 
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Names and Synonyms

Name of Substance

  • Phenethyl 2-methylbutyrate

Synonyms

  • 2-Phenylethyl 2-methylbutanoate
  • 2-Phenylethyl 2-methylbutyrate
  • AI3-34503
  • Benzylcarbinyl 2-methylbutyrate
  • beta-Phenethyl alpha-methylbutanoate
  • beta-Phenylethyl alpha-methylbutanoate
  • BRN 2266397
  • Butanoic acid, 2-methyl-, 2-phenylethyl ester
  • Butyric acid, 2-methyl-, phenethyl ester
  • EINECS 246-476-5
  • FEMA No. 3632
  • Phenethyl 2-methylbutyrate
  • Phenethyl 2-methylbutyrate (natural)
  • Phenylethyl 2-methylbutyrate
  • UNII-4D2I5SJ45Q

Systematic Names

  • 2-Phenylethyl 2-methylbutyrate
  • Butanoic acid, 2-methyl-, 2-phenylethyl ester
  • Butyric acid, 2-methyl-, phenethyl ester (8CI)

Superlist Name

  • Phenethyl 2-methylbutyrate

Registry Numbers

CAS Registry Number

  • 24817-51-4

FDA UNII

  • 4D2I5SJ45Q

System Generated Number

  • 0024817514

Structure Descriptors

InChI

1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

InChIKey

KVKKTLBBYFABAZ-UHFFFAOYSA-N

Smiles

C(=O)(C(CC)C)OCCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 399, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 399, 1988.