Pentanoic acid, 2-acetyl-4-methyl-, methyl ester

CAS Registry Number®

51756-09-3

CAS Name

Pentanoic acid, 2-acetyl-4-methyl-, methyl ester

Molecular Formula

C9H16O3

Molecular Mass

172.22

Cite this Page

Pentanoic acid, 2-acetyl-4-methyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51756-09-3 (retrieved 2024-12-03) (CAS RN: 51756-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H16O3/c1-6(2)5-8(7(3)10)9(11)12-4/h6,8H,5H2,1-4H3

InChIKey

InChIKey=DMKUCMYAMVVGLJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pentanoic acid, 2-acetyl-4-methyl-, methyl ester
  • Methyl α-isobutylacetoacetate
  • Methyl 2-acetyl-4-methylpentanoate

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