α Isomethyl ionone

• Formula: C₁₄H₂₂O
• Molecular weight: 206.3239
• IUPAC Standard InChI: InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ Copy

  
• IUPAC Standard InChIKey: JRJBVWJSTHECJK-PKNBQFBNSA-N Copy
• CAS Registry Number: 127-51-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • Isomethylionone
• Stereoisomers:
  • Methyl ionone I
  • Methyl ionone II
• Other names: 4-(2,6,6-Trimethyl 2-cyclohexen-1-yl)-3-methyl-3-buten-2-one; 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-; α-Cetone; α-Ionone, isomethyl-; Cetone alpha; iso-α-methyl ionone; Isomethyl-α-ionone; Methyl-α-isoionone; 8-Methyl-α-ionone; NSC 66432; Isomethylionone; 3-methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-buten-2-one; 3-Methyl-4-(2,6,6-trimethylcyclohex-2-enyl)-but-3-en-2-one; 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
• Information on this page:
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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