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3-Benzyl-2,4-pentanedione
Weight190.242 g/mol
FormulaC12H14O2
Hydrogen Acceptors2
Hydrogen Donors0
Aromatic Rings1
Rotatable Bonds4

3-Benzyl-2,4-pentanedione (1134-87-8)

1134-87-8

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Alternate Names

  • 1134-87-8
  • SMILES
    CC(=O)C(CC1=CC=CC=C1)C(=O)C
  • InChIKey
    WAJQTBOWJRUOOO-UHFFFAOYSA-N

Estimated Properties

Boiling Point 269.76 C EPA T.E.S.T.
Boiling Point 285.86 C EPI Suite
Density 1.01 g/cm3 EPA T.E.S.T.
Flash Point 114.39 C EPA T.E.S.T.
Melting Point 58.18 C EPI Suite
Water Solubility 1802.81 mg/L EPA T.E.S.T.
Water Solubility 5182.1 mg/L EPI Suite

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Synthesis

benzene  +  NSC100643 (Friedel-Crafts alkylation)
SCHEMBL17894957  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Acetonitrile  +  Reactant (Grignard carbonyl)
Synthesis of 3-Benzyl-2,4-pentanedione ›

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