Effective extrapolation models for ecotoxicity of benzene, toluene, ethylbenzene, and xylene (BTEX).

Benzene homologues have significant toxic effects to aquatic organisms. In this study, the acute toxicity data of benzene, toluene, ethylbenzene and xylene (BTEX) were collected and screened, and the toxicity extrapolation model of paired BTEX was established. The results showed that except the correlation between benzene and xylene was not strong due to insufficient data, the linear correlation of the other five paired BTEX was good (p < 0.01), and R2 fitted by the four out of five paired BTEX was greater than 0.85. The cross validation showed that ethylbenzene-xylene model was optimal, and for most species (81.8%), the established five BTEX models had a prediction error of less than 10%. Also, these extrapolation models were validated by experimental results of Pseudorasbora parva. The difference between the predicted and measured values of the acute toxicity of BTEX was less than 1 fold, which indicated that the extrapolation model had high accuracy.