Modeling Fragrance Components Release from a Simplified Matrix Used in Toiletries and Household Products

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• 作者：Patr铆cia Costa ; Miguel A. Teixeira ; Yohan Li猫vre ; Jos茅 Miguel Loureiro ; Al铆rio E. Rodrigues
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2015
• 出版时间：November 25, 2015
• 年：2015
• 卷：54
• 期：46
• 页码：11720-11731
• 全文大小：717K
• ISSN：1520-5045

文摘

A new methodology based on Henry鈥檚 law is proposed for modeling the release of fragrances from a simplified matrix commonly used in consumer products鈥?formulations. For that purpose, different mixtures were formulated containing one, two, three, or four fragrance ingredients diluted in dipropylene glycol (simplified matrix). Headspace concentrations were measured to estimate Henry鈥檚 constants (H) for each fragrance component in all mixtures. The individual Henry鈥檚 constants for multicomponent fragrance mixtures were also predicted from the ones measured for each single compound diluted in the matrix. Furthermore, we used a model that combines the UNIFAC group-contribution method with the modified Raoult鈥檚 law and the psychophysicals Stevens鈥?power law and strongest component model to predict the perceived odor intensity and character, respectively. Results showed a strong linear relationship between experimental H for single fragrances and experimental H for binary (r² = 0.998), ternary (r² = 0.997), and quaternary (r² = 0.996) fragrance mixtures. This new approach can bring a relevant advantage to the preformulation process by reducing time and cost associated with trial-and-error experiments.