3-Phenylbutyric acid

CAS Registry Number®

4593-90-2

CAS Name

3-Phenylbutyric acid

Molecular Formula

C10H12O2

Molecular Mass

164.20

Cite this Page

3-Phenylbutyric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4593-90-2 (retrieved 2024-11-22) (CAS RN: 4593-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    172-710 °C

  • Melting Point (1)

    37-39 °C

  • Density (2)

    1.067 g/cm³ @ Temp: 16.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)

InChIKey

InChIKey=ZZEWMYILWXCRHZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, β-methyl-
  • Hydrocinnamic acid, β-methyl-
  • β-Methylbenzenepropanoic acid
  • β-Methylhydrocinnamic acid
  • 3-Phenylbutanoic acid

View All

Deleted or Replaced CAS Registry Numbers

772-17-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration