3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

CAS Registry Number®

79-89-0

CAS Name

3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

Molecular Formula

C14H22O

Molecular Mass

206.32

Cite this Page

3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79-89-0 (retrieved 2024-11-22) (CAS RN: 79-89-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    124-125 °C @ Press: 9 Torr

  • Density (2)

    0.9355 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3

InChIKey

InChIKey=NSSHGPBKKVJJMM-UHFFFAOYSA-N

SMILES

C(=C(C(C)=O)C)C=1C(C)(C)CCCC1C

Canonical SMILES

O=C(C(=CC1=C(C)CCCC1(C)C)C)C

Other Names for this Substance

  • 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • δ-Iraldeine
  • Isomethyl-β-ionone
  • NSC 66433

View All

CAS INSIGHTSTM
Hourglass and a clock