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Diacetone alcohol
Weight116.16 g/mol
FormulaC6H12O2
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings0
Rotatable Bonds2

Diacetone alcohol (123-42-2)

4-hydroxy-4-methyl-2-pentanone

Score: #123 in Environmental science , #1263 in Biology , #1461 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
  • H371: May cause damage to organs
    Warning Specific target organ toxicity, single exposure - Category 2

Trends

Alternate Names

  • 4-hydroxy-4-methyl-2-pentanone
  • SMILES
    CC(=O)CC(C)(C)O
  • InChIKey
    SWXVUIWOUIDPGS-UHFFFAOYSA-N

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Synthesis

Acetonitrile  +  1-Chloro-2-methyl-2-propanol (Grignard carbonyl)
Hexylene glycol  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of Diacetone alcohol ›

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