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3-Allyl-4-methoxybenzoic acid
Weight192.214 g/mol
FormulaC11H12O3
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds4

3-Allyl-4-methoxybenzoic acid (7501-09-9)

7501-09-9

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Alternate Names

  • 7501-09-9
  • SMILES
    COC1=C(C=C(C=C1)C(=O)O)CC=C
  • InChIKey
    LGIGQNDSEONVRB-UHFFFAOYSA-N

Estimated Properties

Boiling Point 305.85 C EPA T.E.S.T.
Boiling Point 325.33 C EPI Suite
Density 1.15 g/cm3 EPA T.E.S.T.
Flash Point 147.52 C EPA T.E.S.T.
Melting Point 100.5 C EPI Suite
Water Solubility 848.34 mg/L EPA T.E.S.T.
Water Solubility 28.744 mg/L EPI Suite

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Synthesis

4-METHOXYBENZOIC ACID  +  ALLYL CHLORIDE (Friedel-Crafts alkylation)
Reactant  +  Methyl hydroperoxide (Dakin oxidation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Reactant  +  1-Hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide (Nicolaou IBX dehydrogenation)
Synthesis of 3-Allyl-4-methoxybenzoic acid ›

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