Dihydroisophorone

873-94-9

CAS Name

3,3,5-Trimethylcyclohexanone

Molecular Formula

C₉H₁₆O

Molecular Mass

140.22

Compound Properties

• Boiling Point (1)

  189 °C

• Melting Point (2)

  180 °C

• Density (3)

  0.9223 g/cm³ @ Temp: 19 °C

Source(s)

• (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
• (2) Braun, J. V.; Berichte der Deutschen Chemischen Gesellschaft, (1910), 43, 1495-505, CAplus
• (3) Pringsheim, Hans; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, (1925), 58B, 1409-16, CAplus

Other Names and Identifiers

InChI

InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3

InChIKey

InChIKey=POSWICCRDBKBMH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

33496-91-2