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Weight192.302 g/mol
FormulaC13H20O
Hydrogen Acceptors1
Hydrogen Donors0
Aromatic Rings0
Rotatable Bonds2

BETA-IONONE

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one  ·  beta-ionone, (trans)-isomer

8013-90-9, 14901-07-6, 85949-43-5, 79-77-6
Score: #387 in Biochemistry , #1565 in Chemistry
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Most-cited Publications

Areas of Application

Safety

  • H401: Toxic to aquatic life
    Hazardous to the aquatic environment, acute hazard - Category 2

Trends

Alternate Names

  • 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • beta-ionone, (trans)-isomer
  • SMILES
    CC1=C(C(CCC1)(C)C)C=CC(=O)C
  • InChIKey
    PSQYTAPXSHCGMF-UHFFFAOYSA-N

External Links

Synthesis

beta-Ionol  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
methylglyoxal  +  Reactant (Wittig)
Acetonitrile  +  Reactant (Grignard carbonyl)
Reactant  +  1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide (Nicolaou IBX dehydrogenation)
Synthesis of BETA-IONONE ›

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