β-Isophorone

CAS Registry Number®

471-01-2

CAS Name

β-Isophorone

Molecular Formula

C9H14O

Molecular Mass

138.21

Cite this Page

β-Isophorone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=471-01-2 (retrieved 2024-11-22) (CAS RN: 471-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    184 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3

InChIKey

InChIKey=LKOKKQDYMZUSCG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Cyclohexen-1-one, 3,5,5-trimethyl-
  • 3,5,5-Trimethyl-3-cyclohexen-1-one
  • β-Phorone
  • β-Isophorone
  • Crocusatin E

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration