Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from molecular structures was written by Ghasemi, Jahanbakhsh;Ahmadi, Shahin. And the article was included in Annali di Chimica (Rome, Italy) in 2007.SDS of cas: 112-59-4 The following contents are mentioned in the article:
Quant. structure-property relationship (QSPR) anal. has been directed to a series of pure nonionic surfactants containing linear alkyl, cyclic alkyl, and alkey Ph ethoxylates. Modeling of cloud point of these compounds as a function of the theor. derived descriptors was established by multiple linear regression (MLR) and partial least squares (PLS) regression. In this study, a genetic algorithm (GA) was applied as a variable selection method in QSPR anal. The results indicate that the GA is a very effective variable selection approach for QSPR anal. The comparison of the two regression methods used showed that PLS has better prediction ability than MLR. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4SDS of cas: 112-59-4).
2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.SDS of cas: 112-59-4
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem