Structure-Activity Relationships for an Ecotoxicological Hazard Assessment of Selected Isothiazol-3-one Biocides and Ionic LiquidsA Mode-of-Action-Based Strategy

Abstract

In the presented work two case studies using highly reactive Isothiazol-3-one biocides and Ionic liquids are presented. It was the aim of these studies to get a deeper knowledge on the hazard potential of the selected substances by applying a mode of action based testing strategy and a flexible toxicological and ecotoxicological test battery. Summarising the results obtained from both case studies, it could be shown that the applied tiered and mode of action based testing strategy in combination with a flexible test battery was a valuable tool to identify and screen modes of toxic action as well as structure-activity relationships of reactive and non-reactive chemicals. The identified hazard potentials of isothiazol-3-one biocides and ionic liquids reduced the uncertainty of their toxicological and ecotoxicological impacts and thus the obtained results can lead to a refined multidimensional risk assessment of these substances. Additionally, the uncovered structure-activity relationships can be used to design more inherently safer and hence sustainable biocides and ionic liquids. The used T-SAR based approach could be identified as a promising candidate for the above cited "intelligent testing strategies" in the hazard assessment of environmentally relevant chemicals.