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Isophorone

CAS Registry Number®

78-59-1

CAS Name

Isophorone

Molecular Formula

C9H14O

Molecular Mass

138.21

Cite this Page

Isophorone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78-59-1 (retrieved 2024-12-26) (CAS RN: 78-59-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    215.32 °C

  • Melting Point (1)

    -8.1 °C

  • Density (1)

    0.9255 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

InChIKey

InChIKey=HJOVHMDZYOCNQW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Cyclohexen-1-one, 3,5,5-trimethyl-
  • 3,5,5-Trimethyl-2-cyclohexen-1-one
  • Isoacetophorone
  • Isophorone
  • 1,1,3-Trimethyl-3-cyclohexene-5-one

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