Prediction of fragrance headspace concentrations from physicochemical properties.
Perfum Flavor 2004 May; 29(5):38-47
Fragrance composition on and above the skin evolves continuously after topical application. Characterization of this process is valuable both for technical understanding of the perfume performance and for risk assessment of problematic ingredients. This report describes the application of a previously developed one-compartment, first-order kinetic model for disposition of fragrance ingredients on skin to analysis of recently reported headspace compositions associated with the application of five fine fragrance compositions to the human volar forearm. The model, with no adjustment and no ingredient interactions, was able to account for an average of 65 percent (range: 32-76 percent) of the variance associated with measured headspace concentrations of the various components 1 h post-application. Significant negative departures from the model predictions were observed for the top notes limonene, benzyl acetate and ethyl acetoacetate, all of which evaporated more slowly than predicted. Interactions with the fixatives are implicated. Positive deviations were observed for a number of the less volatile ingredients including galaxolide, bacdanol and polysantol. Possibilities for extending the model to include ingredient interactions by means of thermodynamic activity calculations are discussed.
Chemical-kinetics; Chemical-properties; Physiological-chemistry; Skin-tests; Skin-absorption; Humans; Models; Thermodynamics
Gerald B. Kasting, The University of Cincinnati Medical Center, P.O. Box 670004, Cincinnati, OH 45267-0004
Research Tools and Approaches: Exposure Assessment Methods
Perfumer & Flavorist
University of Cincinnati