β-Ionone

CAS Registry Number®

79-77-6

CAS Name

β-Ionone

Molecular Formula

C13H20O

Molecular Mass

192.30

Cite this Page

β-Ionone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79-77-6 (retrieved 2024-11-23) (CAS RN: 79-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    135-140 °C @ Press: 16 Torr

  • Melting Point (2)

    122-124 °C

  • Density (2)

    0.9468 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

InChIKey

InChIKey=PSQYTAPXSHCGMF-BQYQJAHWSA-N

SMILES

C(=C/C(C)=O)\C=1C(C)(C)CCCC1C

Canonical SMILES

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

Other Names for this Substance

  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
  • (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • trans-β-Ionone
  • β-Ionone

View All

Deleted or Replaced CAS Registry Numbers

1353674-22-2

CAS INSIGHTSTM
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