Ketoisophorone

CAS Registry Number®

1125-21-9

CAS Name

Ketoisophorone

Molecular Formula

C9H12O2

Molecular Mass

152.19

Cite this Page

Ketoisophorone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1125-21-9 (retrieved 2024-11-21) (CAS RN: 1125-21-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    92-94 °C @ Press: 11 Torr

  • Melting Point (1)

    15-16 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

InChIKey

InChIKey=AYJXHIDNNLJQDT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1C=C(C(=O)C(C)(C)C1)C

Other Names for this Substance

  • 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-
  • 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
  • 3,5,5-Trimethyl-2-cyclohexene-1,4-dione
  • 4-Oxoisophorone
  • 2,6,6-Trimethylcyclohex-2-ene-1,4-dione

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration