2,4,4-Trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

CAS Registry Number®

29790-29-2

CAS Name

2,4,4-Trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

2,4,4-Trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29790-29-2 (retrieved 2024-11-08) (CAS RN: 29790-29-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    53-54 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+

InChIKey

InChIKey=OBHGOXFSRVNKBS-AATRIKPKSA-N

SMILES

C(=C/C(C)=O)\C=1C(C)(C)CCC(=O)C1C

Canonical SMILES

O=C(C=CC1=C(C(=O)CCC1(C)C)C)C

Other Names for this Substance

  • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-
  • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, (E)-
  • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-[(1E)-3-oxo-1-butenyl]-
  • 2,4,4-Trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one
  • trans-4-keto-β-Ionone

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CAS INSIGHTSTM
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