3,3,5-Trimethylcyclohexanone

CAS Registry Number®

873-94-9

CAS Name

3,3,5-Trimethylcyclohexanone

Molecular Formula

C9H16O

Molecular Mass

140.22

Cite this Page

3,3,5-Trimethylcyclohexanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=873-94-9 (retrieved 2025-04-02) (CAS RN: 873-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    95-102 °C @ Press: 15 Torr

  • Melting Point (2)

    79-81 °C

  • Density (3)

    0.9676 g/cm³ @ Temp: 419.1 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3

InChIKey

InChIKey=POSWICCRDBKBMH-UHFFFAOYSA-N

SMILES

CC1(C)CC(C)CC(=O)C1

Canonical SMILES

O=C1CC(C)CC(C)(C)C1

Other Names for this Substance

  • Cyclohexanone, 3,3,5-trimethyl-
  • 3,3,5-Trimethylcyclohexanone
  • Dihydroisophorone
  • 3,3,5-Trimethyl-1-cyclohexanone
  • (±)-3,3,5-Trimethylcyclohexanone

View All

Deleted or Replaced CAS Registry Numbers

33496-91-2

CAS INSIGHTSTM
A hexagon honeycomb pattern featuring icons representing Data Fabric Analytics, Antennas, Construction, DNA, and Sustainability Bamboo. Each hexagon contains a distinct symbol related to its theme, arranged in a visually appealing and interconnected design.