(3Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

CAS Registry Number®

52340-45-1

CAS Name

(3Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

Molecular Formula

C13H20O

Molecular Mass

192.30

Cite this Page

(3Z)-4-(2,6,6-Trimethyl-2-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=52340-45-1 (retrieved 2024-11-22) (CAS RN: 52340-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    72-72.5 °C @ Press: 1 Torr

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-FPLPWBNLNA-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)-, (3Z)-
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-
  • (3Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • (Z)-α-Ionone
  • cis-α-Ionone

CAS INSIGHTSTM
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