Isobutyl isovalerate

CAS Registry Number®

589-59-3

CAS Name

Isobutyl isovalerate

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

Isobutyl isovalerate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=589-59-3 (retrieved 2024-11-21) (CAS RN: 589-59-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    168.5 °C

  • Melting Point (2)

    110 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

InChIKey=KEBDNKNVCHQIJU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 2-methylpropyl ester
  • Isovaleric acid, isobutyl ester
  • Isobutyl isovalerate
  • 2-Methylpropyl 3-methylbutyrate
  • 2-Methylpropyl isovalerate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration