Regioselective synthesis of a branched isomer of nonylphenol, 4-(3 ',6 '-dimethyl-3 '-heptyl)phenol, and determination of its important environmentalproperties

A method for the synthesis of a pure nonylphenol isomer. 4-(3',6'-dimethyl- 3'-heptyl)phenol, by Friedel-Crafts reaction between anisole and 3-bromo-3, 6-dimethylheptane that gives a 47.3% overall yield is reported. The reactio ns were followed by GC-MS. and the chemical structures are in agreement wit h the NMR and IR spectra. The log K-ow value for this compound, its water s olubility, vapor pressure, and Henry's Law constant were also determined. T hese physicochemical properties were required for prediction of the compoun d's behavior in aquatic ecosystems.