title: Regioselective synthesis of a branched isomer of nonylphenol, 4-(3',6'-dimethyl-3'-heptyl)phenol, and determination of its important environmental properties.
abstract: 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 reactions were followed by GC-MS, and the chemical structures are in agreement with the NMR and IR spectra. The log K(ow) value for this compound, its water solubility, vapor pressure, and Henry's Law constant were also determined. These physicochemical properties were required for prediction of the compound's behavior in aquatic ecosystems.
authors.affiliation: Institut für Okologische Chemie, GSF-Forschungszentrum für Umwelt und Gesundheit, München, Germany.
authors.forename: J O
authors.initials: JO
authors.lastname: Lalah
authors.forename: K W
authors.initials: KW
authors.lastname: Schramm
authors.forename: D
authors.initials: D
authors.lastname: Lenoir
authors.forename: B
authors.initials: B
authors.lastname: Henkelmann
authors.forename: N
authors.initials: N
authors.lastname: Hertkorn
authors.forename: G
authors.initials: G
authors.lastname: Matuschek
authors.forename: A
authors.initials: A
authors.lastname: Kettrup
authors.forename: K
authors.initials: K
authors.lastname: Günther