Pentanoic acid, 4-oxo-, 2-methylpropyl ester

CAS Registry Number®

3757-32-2

CAS Name

Pentanoic acid, 4-oxo-, 2-methylpropyl ester

Molecular Formula

C9H16O3

Molecular Mass

172.22

Cite this Page

Pentanoic acid, 4-oxo-, 2-methylpropyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3757-32-2 (retrieved 2025-05-20) (CAS RN: 3757-32-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    118 °C @ Press: 23 Torr

  • Density (2)

    0.96926 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3

InChIKey

InChIKey=WETOYPNHZMSVFZ-UHFFFAOYSA-N

SMILES

C(CCC(C)=O)(OCC(C)C)=O

Canonical SMILES

O=C(OCC(C)C)CCC(=O)C

Other Names for this Substance

  • Pentanoic acid, 4-oxo-, 2-methylpropyl ester
  • Levulinic acid, isobutyl ester
  • Isobutyl 4-oxopentanoate
  • Isobutyl levulinate
  • NSC 40954

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