Record Display for the EPA National Library Catalog


Main Title Structure-Activity Relationships for Screening Organic Chemicals for Potential Ecotoxicity Effects.
Author Veith, G. D. ; De Foe, D. ; Knuth, M. ;
CORP Author Environmental Research Lab.-Duluth, MN.
Year Published 1985
Report Number EPA/600/J-85/224;
Stock Number PB86-118692
Additional Subjects Environmental effects ; Ecology ; Toxicity ; Organic compounds ; Molecular structure ; Industrial wastes ; Esters ; Assessments ; Octanol ; Water ; Partitions(Mathematics) ; Fishes ; Reprints ; Bioaccumulation ; Ecological concentration ; Numerical solution ; Water pollution effects(Animals)
Library Call Number Additional Info Location Last
NTIS  PB86-118692 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 11p
The paper presents structure-activity relationships (QSAR) for estimating the bioconcentration factor and acute toxicity of some classes of industrial chemicals using only the n-octanol/water partition coefficient (Log P) which is derived from chemical structure. The bioconcentration factor is estimated by the equation: Log BCF = 0.79 Log P - 0.40 r = 0.93 n = 122. The acute toxicity of polar narcotic chemicals to fathead minnows were substantially greater than non-polar narcotics. Although a comprehensive model is not yet discernable, industrial esters and diesters can be estimated by the equation: Log LC50 = -0.535 Log P - 2.75 r = 0.91 n = 29. Guidelines for selecting tests for ecotoxicity assessments are also presented.