Isomethyl-α-ionone

CAS Registry Number®

127-51-5

CAS Name

Isomethyl-α-ionone

Molecular Formula

C14H22O

Molecular Mass

206.32

Cite this Page

Isomethyl-α-ionone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127-51-5 (retrieved 2025-03-30) (CAS RN: 127-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    86-88 °C @ Press: 0.1 Torr

  • Density (2)

    0.9520 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/h7,9,13H,6,8H2,1-5H3

InChIKey

InChIKey=JRJBVWJSTHECJK-UHFFFAOYSA-N

SMILES

C(=C(C(C)=O)C)C1C(C)(C)CCC=C1C

Canonical SMILES

O=C(C(=CC1C(=CCCC1(C)C)C)C)C

Other Names for this Substance

  • 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • α-Cetone
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one
  • α-Ionone, isomethyl-

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