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Weight116.16 g/mol
FormulaC6H12O2
Hydrogen Acceptors2
Hydrogen Donors0
Aromatic Rings0
Rotatable Bonds3

Butyl acetate (123-86-4)

acetic acid butyl ester

Score: #169 in Physics , #478 in Chemistry
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Areas of Application

Safety

  • H225: Highly Flammable liquid and vapor
    Danger Flammable liquids - Category 2
  • H226: Flammable liquid and vapor
    Warning Flammable liquids - Category 3
  • H335: May cause respiratory irritation
    Warning Specific target organ toxicity, single exposure; Respiratory tract irritation - Category 3

Trends

Alternate Names

  • acetic acid butyl ester
  • SMILES
    CCCCOC(=O)C
  • InChIKey
    DKPFZGUDAPQIHT-UHFFFAOYSA-N

Estimated Properties

Boiling Point 123.26 C EPA T.E.S.T.
Density 0.9 g/cm3 EPA T.E.S.T.
Flash Point 26.91 C EPA T.E.S.T.
Water Solubility 6240.72 mg/L EPA T.E.S.T.

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Synthesis

Acetic Acid  +  1-Chlorobutane (Ester from carboxilic acid(SN2))
ACETYL CHLORIDE  +  1-butanol (O-acylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of Butyl acetate ›

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