Benzyl isobutyrate

CAS Registry Number®

103-28-6

CAS Name

Benzyl isobutyrate

Molecular Formula

C11H14O2

Molecular Mass

178.23

Cite this Page

Benzyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103-28-6 (retrieved 2024-11-22) (CAS RN: 103-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    229 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

InChIKey=UIKJRDSCEYGECG-UHFFFAOYSA-N

SMILES

C(OC(C(C)C)=O)C1=CC=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Propanoic acid, 2-methyl-, phenylmethyl ester
  • Isobutyric acid, benzyl ester
  • Benzyl isobutyrate
  • Benzyl 2-methylpropionate
  • Benzyl isobutanoate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration