3-Methyl-2-phenylbutanoic acid

CAS Registry Number®

3508-94-9

CAS Name

3-Methyl-2-phenylbutanoic acid

Molecular Formula

C11H14O2

Molecular Mass

178.23

Cite this Page

3-Methyl-2-phenylbutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3508-94-9 (retrieved 2024-11-21) (CAS RN: 3508-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    145-147 °C @ Press: 10 Torr

  • Melting Point (1)

    62-63 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=HDLQGISFYDYWFJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-(1-methylethyl)-
  • Butyric acid, 3-methyl-2-phenyl-
  • α-(1-Methylethyl)benzeneacetic acid
  • 3-Methyl-2-phenylbutyric acid
  • α-Isopropylphenylacetic acid

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Deleted or Replaced CAS Registry Numbers

13490-68-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration