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METHYL ACETOACETATE
Weight116.116 g/mol
FormulaC5H8O3
Hydrogen Acceptors3
Hydrogen Donors0
Aromatic Rings0
Rotatable Bonds2

METHYL ACETOACETATE (105-45-3)

acetoacetic acid methyl ester  ·  methyl 3-oxobutanoate

Score: #682 in Biochemistry , #2311 in Chemistry
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Safety

  • H227: Combustible liquid
    Warning Flammable liquids - Category 4
  • H319: Causes serious eye irritation
    Warning Serious eye damage/eye irritation - Category 2A
  • H336: May cause drowsiness or dizziness
    Warning Specific target organ toxicity, single exposure; Narcotic effects - Category 3

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Alternate Names

  • acetoacetic acid methyl ester
  • methyl 3-oxobutanoate
  • SMILES
    CC(=O)CC(=O)OC
  • InChIKey
    WRQNANDWMGAFTP-UHFFFAOYSA-N

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Synthesis

Acetonitrile  +  METHYL CHLOROACETATE (Grignard carbonyl)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of METHYL ACETOACETATE ›

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