Screening Alternative Degreasing Solvents Using Multivariate Analysis

Abstract

Multivariate analysis was used to explore physicochemical properties of organic chemicals that would characterize and identify degreasing solvents. The exploratory techniques used in this study include cluster analysis, discriminant function analysis, and canonical discriminant analysis. Out of a compilation of 16 physicochemical properties evaluated, aqueous solubility, Henry's constant, and surface tension were identified as relevant properties that could effectively screen degreasing solvents from among 30 chemicals of similar chemical classes. The suitability of these three properties and the multivariate techniques used in classifying degreasing solvents were demonstrated on an external testing set of 10 solvent- and nonsolvent-type chemicals. On the basis of the results of these studies, canonical discriminant analysis is recommended as a potential tool for screening purposes. The cluster analysis procedure was informative for explorative purposes; the discriminant function analysis procedure was not efficient in separating solvents from others.