2-Phenylethyl isobutyrate

CAS Registry Number®

103-48-0
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CAS Name

2-Phenylethyl isobutyrate

Molecular Formula

C12H16O2

Molecular Mass

192.25

Cite this Page

2-Phenylethyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=103-48-0 (retrieved 2024-04-19) (CAS RN: 103-48-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    70-71 °C @ Press: 0.5 Torr

  • Density (2)

    0.9871 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=JDQVBGQWADMTAM-UHFFFAOYSA-N

SMILES

C(COC(C(C)C)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OCCC=1C=CC=CC1)C(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 2-phenylethyl ester
  • Isobutyric acid, phenethyl ester
  • Benzylcarbinyl isobutyrate
  • Phenethyl isobutyrate
  • 2-Phenylethyl isobutyrate

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