Modelling of m-Cresol Isopropylation for obtaining n-Thymols

Abstract

A theoretical model of the reaction of m-cresol isopropylation to n-thymol has been fitted, using a sequential response surface method. The model quality was assessed by comparing the predicted values of the outcome of the reaction and the observed values from the experimental design. So the data obtained from the theoretical models were in good agreement with the experimental ones because the residues (difference between predicted values and experimental values) were less than the double of experimental standard deviation. According to the theoretical models the optimum value for the desired product (n-thymol) was 67 % with an error of 4.4%.


Key words: modelling, experimental design, thymol synthesis, response surface method.


(Global Journal of Pure and Applied Sciences: 2003 9(4): 547-552)