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Substance Name: 3-Phenyl propyl isobutyrate
RN: 103-58-2
UNII: Y9O48YFN18
InChIKey: VBTAKMZSMFMLGT-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H18-O2

Molecular Weight

  • 206.283
 
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Names and Synonyms

Name of Substance

  • 3-Phenyl propyl isobutyrate

Synonyms

  • 3-Phenylpropyl 2-methylpropanoate
  • 3-Phenylpropyl isobutyrate
  • 3-Phenylpropyl isobutyrate (natural)
  • 4-06-00-03201 (Beilstein Handbook Reference)
  • BRN 2454387
  • EINECS 203-125-0
  • FEMA No. 2893
  • Hydrocinnamyl 2-methylpropanoate
  • Hydrocinnamyl isobutyrate
  • Isobutyric acid, 3-phenylpropyl ester
  • NSC 404455
  • Phenylpropyl 2-methylpropanoate, beta-
  • Phenylpropyl isobutyrate
  • Propanoic acid, 2-methyl-, 3-phenylpropyl ester
  • UNII-Y9O48YFN18

Systematic Names

  • 3-Phenylpropyl isobutyrate
  • Isobutyric acid, 3-phenylpropyl ester
  • Propanoic acid, 2-methyl-, 3-phenylpropyl ester

Superlist Name

  • 3-Phenylpropyl isobutyrate

Registry Numbers

CAS Registry Number

  • 103-58-2

FDA UNII

  • Y9O48YFN18

System Generated Number

  • 0000103582

Structure Descriptors

InChI

1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3

InChIKey

VBTAKMZSMFMLGT-UHFFFAOYSA-N

Smiles

c1(CCCOC(C(C)C)=O)ccccc1