α-Irone

CAS Registry Number®

79-69-6

CAS Name

α-Irone

Molecular Formula

C14H22O

Molecular Mass

206.32

Cite this Page

α-Irone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79-69-6 (retrieved 2024-12-22) (CAS RN: 79-69-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    89 °C @ Press: 0.5 Torr

  • Melting Point (2)

    <25 °C

  • Density (1)

    0.9353 g/cm³ @ Temp: 21 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3

InChIKey

InChIKey=JZQOJFLIJNRDHK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(C=CC1C(=CCC(C)C1(C)C)C)C

Other Names for this Substance

  • 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
  • α-Ionone, methyl-
  • 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • α-Irone
  • α-Ionone, 6-methyl-

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Deleted or Replaced CAS Registry Numbers

54082-69-8

CAS INSIGHTSTM
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