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Weight138.21 g/mol
FormulaC9H14O
Hydrogen Acceptors1
Hydrogen Donors0
Aromatic Rings0
Rotatable Bonds0

ISOPHORONE (78-59-1)

diisophorone

Score: #17 in Materials science , #246 in Physics , #737 in Chemistry
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Areas of Application

Safety

  • H227: Combustible liquid
    Warning Flammable liquids - Category 4
  • H302: Harmful if swallowed
    Warning Acute toxicity, oral - Category 4
  • H312: Harmful in contact with skin
    Warning Acute toxicity, dermal - 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
  • H351: Suspected of causing cancer
    Warning Carcinogenicity - Category 2
  • H402: Harmful to aquatic life
    Hazardous to the aquatic environment, acute hazard - Category 3

Trends

Alternate Names

  • diisophorone
  • SMILES
    CC1=CC(=O)CC(C1)(C)C
  • InChIKey
    HJOVHMDZYOCNQW-UHFFFAOYSA-N

Estimated Properties

Boiling Point 207.97 C EPA T.E.S.T.
Density 0.92 g/cm3 EPA T.E.S.T.
Flash Point 73.09 C EPA T.E.S.T.
Water Solubility 3185.29 mg/L EPA T.E.S.T.

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Synthesis

Isophorol  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
ISOPHORONE  +  ALLYL BROMIDE (Barbier reaction)
Synthesis of ISOPHORONE ›

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