Heptanoic acid, 3-methyl-4-oxo-, ethyl ester

CAS Registry Number®

67893-05-4

CAS Name

Heptanoic acid, 3-methyl-4-oxo-, ethyl ester

Molecular Formula

C10H18O3

Molecular Mass

186.25

Cite this Page

Heptanoic acid, 3-methyl-4-oxo-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67893-05-4 (retrieved 2025-01-03) (CAS RN: 67893-05-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    81-83 °C @ Press: 2 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H18O3/c1-4-6-9(11)8(3)7-10(12)13-5-2/h8H,4-7H2,1-3H3

InChIKey

InChIKey=DXRJGHNIYCEKBM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Heptanoic acid, 3-methyl-4-oxo-, ethyl ester
  • Ethyl 3-methyl-4-oxoheptanoate
  • 3-Methyl-4-oxo-heptanoic acid ethyl ester

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