title: Use of the SPARC software program to calculate hydrolysis rate constants for the polymeric brominated flame retardants BC-58 and FR-1025.
abstract: The SPARC software program was used to estimate the acid-catalyzed, neutral, and base-catalyzed hydrolysis rate constants for the polymeric brominated flame retardants BC-58 and FR-1025. Relatively rapid hydrolysis of BC-58, producing 2,4,6-tribromophenol-and ultimately tetrabromobisphenol A-as the hydrolytically stable end products from all potential hydrolysis reactions, is expected in both environmental and biological systems with starting material hydrolytic half-lives (t(1/2,hydr)) ranging from less than 1 h in marine systems, several hours in cellular environments, and up to several weeks in slightly acid fresh waters. Hydrolysis of FR-1025 to give 2,3,4,5,6-pentabromobenzyl alcohol is expected to be slower (t(1/2,hydr) less than 0.5 years in marine systems up to several years in fresh waters) than BC-58, but is also expected to occur at rates that will contribute significantly to environmental and in vivo loadings of this compound.
authors.affiliation: a Chemologica Research , Moose Jaw , Saskatchewan , Canada.
authors.forename: Sierra
authors.initials: S
authors.lastname: Rayne
authors.affiliation: b Department of Environmental Engineering Technology , Saskatchewan Polytechnic , Moose Jaw , Saskatchewan , Canada.
authors.forename: Kaya
authors.initials: K
authors.lastname: Forest
mesh_terms: D001673:Biodegradation, Environmental; D005411:Flame Retardants; D006868:Hydrolysis; D011075:Polybrominated Biphenyls / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry*; D012984:Software; D014874:Water Pollutants, Chemical / Q000737:chemistry*
chemical_list: D005411:Flame Retardants; D011075:Polybrominated Biphenyls; D011108:Polymers; D014874:Water Pollutants, Chemical
keywords: Brominated flame retardants; environmental fate; hydrolysis; polymers