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On the design of new fragrances with perfumery radar 2.0
An approach for the prediction of the odour space

corresponding

MIGUEL A. TEIXEIRA, PATRÍCIA COSTA, ALÍRIO E. RODRIGUES*
*Corresponding author
University of Porto, Faculty of Engineering, Department of Chemical Engineering,
Associate Laboratory LSRE/LCM, LSRE-Laboratory of Separation and Reaction Engineering, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal

Abstract

The classification of perfumes into olfactory families has been performed for years based on sensorial analysis using odour descriptors. However there is still not yet a standardized classification method universally accepted. This constraint represents simultaneously a challenge and a motivation in the search for a new and common methodology. The purpose of this review is to present the novel Perfumery Radar 2.0 methodology: a tool that starts from the composition of the liquid mixture and molecular structures of perfumery raw materials together with their corresponding olfactory qualities to predict and characterise the odour space. This tool was validated with sensorial classifications from experts using different fragrances with known compositions and commercial ones, showing a very good predictive accuracy.


INTRODUCTION

Perfume formulation comprises dozens of fragrance ingredients, each one having unique physicochemical, psychophysical and sensorial properties. These ingredients are mixed in specific proportions and combinations depending on the perfumer’s choice and can be diluted in a large variety of matrices for a final product formulation. This complex formula results in a pleasant and harmonious sensorial perception for the human nose which is sometimes difficult to describe by words from typical customers. That is the reason why perfumes are often qualitatively classified into olfactory families and nuances by perfumers who are highly trained to recognize and classify odours (1, 2). It should be said, that although humans can detect and discriminate hundre