3-(1-Methylethenyl)-6-oxoheptanoic acid

CAS Registry Number®

4436-82-2

CAS Name

3-(1-Methylethenyl)-6-oxoheptanoic acid

Molecular Formula

C10H16O3

Molecular Mass

184.23

Cite this Page

3-(1-Methylethenyl)-6-oxoheptanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4436-82-2 (retrieved 2025-01-03) (CAS RN: 4436-82-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    173-174 °C @ Press: 7 Torr

  • Density (1)

    1.0510 g/cm³ @ Temp: 15 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)

InChIKey

InChIKey=NJOIWWRMLFSDTM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Heptanoic acid, 3-(1-methylethenyl)-6-oxo-
  • Heptanoic acid, 3-isopropenyl-6-oxo-
  • 3-(1-Methylethenyl)-6-oxoheptanoic acid
  • Limononic acid

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