Formula: C11H16O《Predicting the toxicity of substituted aromatic compounds to fathead minnows using artificial neural network》 was published in 2017. The authors were Li, Qinling;Yang, Yuliang, and the article was included in《Jisuanji Yu Yingyong Huaxue》. The author mentioned the following in the article:
Ninety-two substituted aromatic compounds (containing alkyl-benzenes, nitrobenzene, phenols and anilines) were calculated and 13 quantum chem. parameters were obtained using ab initio. The prediction model was established quant. relationship between the acute toxicity to fathead minnows of a set of substituted aromatic compounds on using BP-ANN and RBF-ANN method. The correlation coefficients of the prediction model were 0.958 and 0.967. Exptl. results showed: BP-ANN and RFB-ANN were better than the multiple regression methods. The results showed that there was nonlinear relationship between toxicity and the quantum chem. parameters. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.
4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Formula: C11H16O
Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts