(2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one

CAS Registry Number®

116497-11-1

CAS Name

(2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one

Molecular Formula

C13H20O

Molecular Mass

192.30

Cite this Page

(2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116497-11-1 (retrieved 2025-01-30) (CAS RN: 116497-11-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    22-24 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+/t12-/m0/s1

InChIKey

InChIKey=CRIGTVCBMUKRSL-PZBABLGHSA-N

SMILES

C(/C=C/C)(=O)[C@H]1C(C)(C)CCC=C1C

Canonical SMILES

O=C(C=CC)C1C(=CCCC1(C)C)C

Other Names for this Substance

  • 2-Buten-1-one, 1-[(1S)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (2E)-
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, [S-(E)]-
  • (2E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-buten-1-one
  • (S)-α-Damascone
  • (-)-α-Damascone

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