Application of Quantitative Structure–Activity Relationships for Assessing the Aquatic Toxicity of Phthalate Esters

Phthalate esters (PEs) are an important class of industrial chemicals for which an extensive aquatic toxicity database is available. The objectives of this study were to use these data to develop quantitative structure–activity relationships (QSARs) that describe aquatic toxicity for different fresh...

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Bibliographic Details
Published in:Ecotoxicology and environmental safety 2000-01, Vol.45 (1), p.61-78
Main Authors: Parkerton, Thomas F., Konkel, Wolfgang J.
Format: Article
Language:English
Subjects:
Algae
Animal, plant and microbial ecology
Animals
Applied ecology
aquatic toxicity
Biological and medical sciences
Body Burden
Daphnia - drug effects
Decapoda (Crustacea)
Diethylhexyl Phthalate
Ecotoxicology, biological effects of pollution
Eukaryota - drug effects
Fishes
Fundamental and applied biological sciences. Psychology
General aspects
Invertebrata
Invertebrates - drug effects
phthalate esters
Phthalic Acids - metabolism
Phthalic Acids - toxicity
Pisces
PNECs
QSARs
Structure-Activity Relationship
Tetrahymena
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Summary:Phthalate esters (PEs) are an important class of industrial chemicals for which an extensive aquatic toxicity database is available. The objectives of this study were to use these data to develop quantitative structure–activity relationships (QSARs) that describe aquatic toxicity for different freshwater and marine species, gain insights into toxicity mechanisms, and calculate PE water quality criteria using statistical extrapolation procedures. Results for low-molecular-weight PEs with log Kow6) indicate that these chemicals are not acutely or chronically toxic to freshwater or marine organisms due to the combined role of low water solubility and limited bioconcentration potential which precludes attainment of internal concentrations that are required to elicit adverse effects. It is concluded that attempts to establish aquatic PNECs for high-molecular-weight PEs are not scientifically defensible.
ISSN:0147-6513
1090-2414
DOI:10.1006/eesa.1999.1841