(1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one

CAS Registry Number®

127-42-4

CAS Name

(1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one

Molecular Formula

C14H22O

Molecular Mass

206.32

Cite this Page

(1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127-42-4 (retrieved 2024-11-23) (CAS RN: 127-42-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    238 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+/t13-/m0/s1

InChIKey

InChIKey=VPKMGDRERYMTJX-XEHSLEBBSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Penten-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)-
  • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, [R-(E)]-
  • (1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one
  • Methyl-α-ionone
  • (+)-α-Methylionone

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Deleted or Replaced CAS Registry Numbers

1322-70-9

CAS INSIGHTSTM
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