Journal
CHEMOSPHERE
Volume 84, Issue 10, Pages 1310-1320Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.chemosphere.2011.05.023
Keywords
REACH; Quantitative structure-activity relationship; Industrial chemicals; Hazard classification; Mode of action; Polar narcosis
Categories
Funding
- Archimedes Foundation (Kristjan Jaak)
- Doctoral School of Ecology and Environmental Sciences, Estonia
- Estonian Ministry of Science and Education [SF0690063s08]
- Estonian Science Foundation [ETF6956, 8066]
- EU [GOCE-CT-2007-037017]
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A congeneric set of 58 substituted anilines and phenols was tested using the 72-h algal growth inhibition assay with Pseudokirchneriella subcapitata and 15-min Vibrio fischeri luminescence inhibition assay. The set contained molecules substituted with one, two or three groups chosen from -chloro, -methyl or -ethyl. For 48 compounds there was no REACH-compatible algal toxicity data available before. The experimentally obtained EC50 values (mg L-1) for algae ranged from 1.43 (3,4,5-trichloroaniline) to 197 (phenol) and for V. fischeri from 0.37 (2,3,5-trichlorophenol) to 491 (aniline). Only five of the tested 58 chemicals showed inhibitory effect to algae at concentrations >100 mg L-1, i.e. could be classified as not harmful, 32 chemicals as harmful (10-100 mg L-1) and 21 as toxic (1-10 mg L-1). The occupied para-position tended to increase toxicity whereas most of the ortho-substituted congeners were the least toxic. As a rule, the higher the number of substituents the higher the hydrophobicity and toxicity. However, in case of both assays, the compounds of similar hydrophobicity showed up to 30-fold different toxicities. There were also assay/organism dependent tendencies: phenols were more toxic than anilines in the V. fischeri assay but not in the algal test. The comparison of the experimental toxicity data to the data available from the literature as well as to QSAR predictions showed that toxicity of phenols to algae can be modeled based on hydrophobicity, whereas the toxicity of anilines to algae as well as toxicity of both anilines and phenols to V. fischeri depended on other characteristics in addition to logK(ow). (C) 2011 Elsevier Ltd. All rights reserved.
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