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3-Methyl-3-buten-2-one
Weight84.118 g/mol
FormulaC5H8O
Hydrogen Acceptors1
Hydrogen Donors0
Aromatic Rings0
Rotatable Bonds1

3-Methyl-3-buten-2-one (54789-11-6, 814-78-8)

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Safety

  • H225: Highly Flammable liquid and vapor
    Danger Flammable liquids - Category 2
  • H311: Toxic in contact with skin
    Danger Acute toxicity, dermal - Category 3
  • H318: Causes serious eye damage
    Danger Serious eye damage/eye irritation - Category 1
  • H370: Causes damage to organs
    Danger Specific target organ toxicity, single exposure - Category 1

Trends

Alternate Names

  • SMILES
    CC(=C)C(=O)C
  • InChIKey
    ZGHFDIIVVIFNPS-UHFFFAOYSA-N

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Synthesis

Acetonitrile  +  2-Chloropropene (Grignard carbonyl)
3-Methyl-3-buten-2-ol  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Reactant  +  1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide (Nicolaou IBX dehydrogenation)
Synthesis of 3-Methyl-3-buten-2-one ›

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