2,4,4-Trimethylcyclopentanone

CAS Registry Number®

4694-12-6

CAS Name

2,4,4-Trimethylcyclopentanone

Molecular Formula

C8H14O

Molecular Mass

126.20

Cite this Page

2,4,4-Trimethylcyclopentanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4694-12-6 (retrieved 2024-11-24) (CAS RN: 4694-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160.5 °C

  • Melting Point (1)

    -25.6 °C

  • Density (2)

    0.785000610351563 g/cm³ @ Temp: 18 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3

InChIKey

InChIKey=OXTQEWUBDTVSFB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1CC(C)(C)CC1C

Other Names for this Substance

  • Cyclopentanone, 2,4,4-trimethyl-
  • 2,4,4-Trimethylcyclopentanone
  • (±)-2,4,4-Trimethylcyclopentanone
  • 2,4,4-Trimethylcyclopentan-1-one

Deleted or Replaced CAS Registry Numbers

55130-95-5