4,6,6-Trimethyl-2-heptanone

CAS Registry Number®

40239-01-8

CAS Name

4,6,6-Trimethyl-2-heptanone

Molecular Formula

C10H20O

Molecular Mass

156.27

Cite this Page

4,6,6-Trimethyl-2-heptanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40239-01-8 (retrieved 2025-07-01) (CAS RN: 40239-01-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    189-190 °C

  • Density (2)

    0.826 g/cm³ @ Temp: 15.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H20O/c1-8(6-9(2)11)7-10(3,4)5/h8H,6-7H2,1-5H3

InChIKey

InChIKey=HSCMOVWILATROF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Heptanone, 4,6,6-trimethyl-
  • 4,6,6-Trimethyl-2-heptanone
  • 2,2,4-Trimethylheptan-6-one

CAS INSIGHTSTM
Purple and red filaments produced by electrostatic discharge inside a plasma ball.