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首页> 外文期刊>Environmental toxicology and chemistry >AQUATIC TOXICITY OF ETHOXYLATED AND PROPOXYLATED ALCOHOLS TO DAPHNIA MAGNA
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AQUATIC TOXICITY OF ETHOXYLATED AND PROPOXYLATED ALCOHOLS TO DAPHNIA MAGNA

机译：乙氧基化和丙氧基化醇类对水蚤的毒性

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摘要

Ethoxylated alcohols, which are used as nonionic surfactants, are known to act as general narcotics in acute aquatic toxicity; that is, they behave in the same way as nonsurfactant unreactive organic chemicals. The toxicity of such chemicals is well predicted by quantitative structure-activity relationships based solely on the logarithm of the octanol/water partition coefficient (log P), which can be calculated from structure. In the present study, we have shown, using experimental results, that a similar approach can be used to determine the toxicity of ethoxylate/propoxylate alcohols (i.e., containing propoxy [PO] and ethoxy [EO] units). Our calculations indicate that use of the Roberts position-dependent branching factor in calculating the PO group contribution is more appropriate than the Leo and Hansch branch factor. The resulting log P value for a PO group is 0.01; that is, the overall contribution to the final log P value is close to zero. On this basis, it is predicted that nonionic surfactants containing both EO and PO groups should have the same molar toxicity as surfactants based on the same parent alcohol and with the same number of EO groups but with no PO groups. This prediction has been confirmed in Daphnia acute toxicity tests. Furthermore, both EO/PO and EO-only nonionics are found to fit the same linear relationship between log P and toxicity.
机译：已知用作非离子表面活性剂的乙氧基化醇可在急性水生毒性中用作一般麻醉剂。也就是说，它们的行为与非表面活性剂，非反应性有机化学品相同。仅基于辛醇/水分配系数（log P）的对数即可通过结构与活性的定量关系很好地预测了此类化学药品的毒性，可以从结构计算得出。在本研究中，我们使用实验结果表明，可以使用类似的方法确定乙氧基化物/丙氧基化醇（即含有丙氧基[PO]和乙氧基[EO]单元）的毒性。我们的计算表明，使用罗伯茨位置相关的分支因子来计算PO基团的贡献比使用Leo和Hansch分支因子更为合适。 PO基团的log P值为0.01。也就是说，对最终log P值的总体贡献接近于零。在此基础上，预计同时含有EO和PO基团的非离子表面活性剂应具有与基于相同母体醇和相同数目的EO基团但不含PO基团的表面活性剂相同的摩尔毒性。水蚤急性毒性试验已经证实了这一预测。此外，发现EO / PO和仅EO的非离子表面活性剂都符合log P和毒性之间的相同线性关系。

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