Isobutyl benzoate

CAS Registry Number®

120-50-3

CAS Name

Isobutyl benzoate

Molecular Formula

C11H14O2

Molecular Mass

178.23

Cite this Page

Isobutyl benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120-50-3 (retrieved 2024-11-22) (CAS RN: 120-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    242 °C

  • Density (2)

    1.023 g/cm³ @ Temp: 23 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KYZHGEFMXZOSJN-UHFFFAOYSA-N

SMILES

C(OCC(C)C)(=O)C1=CC=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 2-methylpropyl ester
  • Benzoic acid, isobutyl ester
  • Isobutyl benzoate
  • 2-Methylpropyl benzoate
  • Benzoic acid iso-butyl ester

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration