Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester

CAS Registry Number®

18835-02-4

CAS Name

Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester

Molecular Formula

C9H14O4

Molecular Mass

186.21

Cite this Page

Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18835-02-4 (retrieved 2024-11-22) (CAS RN: 18835-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    165 °C @ Press: 53 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H14O4/c1-4-13-9(12)5-8(6(2)10)7(3)11/h8H,4-5H2,1-3H3

InChIKey

InChIKey=NKGFIBABDQHCHZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester
  • Levulinic acid, 3-acetyl-, ethyl ester
  • Ethyl β′,β-diacetylpropionate
  • Ethyl 3-acetyl-4-oxopentanoate
  • Ethyl 3-acetyllevulinate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration