Phenylethyl isovalerate

CAS Registry Number®

140-26-1

CAS Name

Phenylethyl isovalerate

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

Phenylethyl isovalerate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=140-26-1 (retrieved 2024-11-22) (CAS RN: 140-26-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    264 °C

  • Density (2)

    0.9791 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

InChIKey

InChIKey=JIMGVOCOYZFDKB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 2-phenylethyl ester
  • Isovaleric acid, phenethyl ester
  • Phenethyl isovalerate
  • Phenylethyl isovalerate
  • Phenylethyl 3-methylbutyrate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration