α-Ionone

CAS Registry Number®

127-41-3
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CAS Name

α-Ionone

Molecular Formula

C13H20O

Molecular Mass

192.30

Cite this Page

α-Ionone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=127-41-3 (retrieved 2024-03-19) (CAS RN: 127-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    121-122 °C @ Press: 10 Torr
  • Melting Point (2)

    <25 °C
  • Density (1)

    0.9319 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+

InChIKey

InChIKey=UZFLPKAIBPNNCA-BQYQJAHWNA-N

SMILES

C(=C/C(C)=O)\C1C(C)(C)CCC=C1C

Canonical SMILES

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

Other Names for this Substance

  • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
  • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • α-Cyclocitrylideneacetone
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

Deleted or Replaced CAS Registry Numbers

30685-95-1, 31798-11-5

CAS INSIGHTSTM
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