β,β,3-Trimethylbenzenepropanoic acid

CAS Registry Number®

19355-31-8
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CAS Name

β,β,3-Trimethylbenzenepropanoic acid

Molecular Formula

C12H16O2

Molecular Mass

192.25

Cite this Page

β,β,3-Trimethylbenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19355-31-8 (retrieved 2024-08-05) (CAS RN: 19355-31-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    150-153 °C @ Press: 2.5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O2/c1-9-5-4-6-10(7-9)12(2,3)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)

InChIKey

InChIKey=WXPMUKIBMKPKPW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(C=1C=CC=C(C1)C)(C)C

Other Names for this Substance

  • Benzenepropanoic acid, β,β,3-trimethyl-
  • Hydrocinnamic acid, m,β,β-trimethyl-
  • β,β,3-Trimethylbenzenepropanoic acid
  • 3-Methyl-3-m-tolylbutanoic acid
  • 3-Methyl-3-(3-methylphenyl)butanoic acid