5,5-Dimethyl-2-(3-oxobutyl)-1,3-cyclohexanedione

CAS Registry Number®

19757-98-3

CAS Name

5,5-Dimethyl-2-(3-oxobutyl)-1,3-cyclohexanedione

Molecular Formula

C12H18O3

Molecular Mass

210.27

Cite this Page

5,5-Dimethyl-2-(3-oxobutyl)-1,3-cyclohexanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19757-98-3 (retrieved 2024-11-22) (CAS RN: 19757-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H18O3/c1-8(13)4-5-9-10(14)6-12(2,3)7-11(9)15/h9H,4-7H2,1-3H3

InChIKey

InChIKey=WEKUHYLZXWCHEE-UHFFFAOYSA-N

SMILES

C(CC(C)=O)C1C(=O)CC(C)(C)CC1=O

Canonical SMILES

O=C(C)CCC1C(=O)CC(C)(C)CC1=O

Other Names for this Substance

  • 1,3-Cyclohexanedione, 5,5-dimethyl-2-(3-oxobutyl)-
  • 5,5-Dimethyl-2-(3-oxobutyl)-1,3-cyclohexanedione

CAS INSIGHTSTM
Hourglass and a clock