Pentanoic acid, 4-methyl-3-oxo-, methyl ester

CAS Registry Number®

42558-54-3

CAS Name

Pentanoic acid, 4-methyl-3-oxo-, methyl ester

Molecular Formula

C7H12O3

Molecular Mass

144.17

Cite this Page

Pentanoic acid, 4-methyl-3-oxo-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42558-54-3 (retrieved 2024-11-21) (CAS RN: 42558-54-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    147-149 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3

InChIKey

InChIKey=HNNFDXWDCFCVDM-UHFFFAOYSA-N

SMILES

C(C(C(C)C)=O)C(OC)=O

Canonical SMILES

O=C(OC)CC(=O)C(C)C

Other Names for this Substance

  • Pentanoic acid, 4-methyl-3-oxo-, methyl ester
  • Methyl 4-methyl-3-oxopentanoate
  • Methyl isobutyrylacetate
  • Isobutyrylacetic acid methyl ester
  • 4-Methyl-3-oxopentanoic acid methyl ester

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration