Hexanoic acid, 5-methyl-3-oxo-, ethyl ester

CAS Registry Number®

34036-16-3
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CAS Name

Hexanoic acid, 5-methyl-3-oxo-, ethyl ester

Molecular Formula

C9H16O3

Molecular Mass

172.22

Cite this Page

Hexanoic acid, 5-methyl-3-oxo-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=34036-16-3 (retrieved 2024-04-27) (CAS RN: 34036-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    99.5 °C @ Press: 12.5 Torr

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=FNVGQABNHXEIBU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Hexanoic acid, 5-methyl-3-oxo-, ethyl ester
  • Ethyl 5-methyl-3-oxohexanoate
  • NSC 69069
  • 5-Methyl-3-oxohexanoic acid ethyl ester

Deleted or Replaced CAS Registry Numbers

13001-24-6

CAS INSIGHTSTM
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