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Substance Name: alpha-Cetone
RN: 127-42-4
InChIKey: VPKMGDRERYMTJX-CMDGGOBGSA-N

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.327
 
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Names and Synonyms

Results Name

  • alpha-Cetone

Synonyms

  • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
  • 5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one
  • 5-(2,6,6-Trimethyl-2-cyclohexenyl)-4-penten-3-one
  • Cetone, alpha-
  • EINECS 204-842-1
  • Methylionone, alpha-

Systematic Names

  • (R-(E))-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
  • 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)-, (theta-(E))-

Superlist Name

  • Methyl-alpha-ionone

Registry Numbers

CAS Registry Number

  • 127-42-4

Other Registry Number

  • 1322-70-9

System Generated Number

  • 0000127424

Structure Descriptors

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+

InChIKey

VPKMGDRERYMTJX-CMDGGOBGSA-N

Smiles

C1([C@@H](C(=CCC1)C)\C=C\C(CC)=O)(C)C