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International Journal of Cosmetic Science
Article . 2021
License: unspecified
Data sources: Ciência-UCP
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International Journal of Cosmetic Science
Article . 2021 . Peer-reviewed
License: Wiley Online Library User Agreement
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Permeability coefficients and vapour pressure determination for fragrance materials

Authors: Almeida, Rafael N.; Hartz, João G. M.; Costa, Patrícia F.; Rodrigues, Alírio E.; Vargas, Rubem M. F.; Cassel, Eduardo;

Permeability coefficients and vapour pressure determination for fragrance materials

Abstract

AbstractObjectiveThis study aims to correlate new experimental data relevant to the description of the combined evaporation/permeation process of a perfume applied onto the skin.MethodsThe vapour pressure data were measured by thermogravimetric analysis (TG‐DTA). The Antoine constants and the Clarke and Glew parameters were determined for the same set of fragrance molecules to describe its low vapour pressures at new temperature ranges. The permeability coefficient of a set of 14 fragrance molecules in ethanolic solution was determined by Franz diffusion cell experiments, using porcine skin. The samples were analysed by gas chromatography with a flame ionization detector (GC/FID) and high‐performance liquid chromatography with UV visible detector (HPLC/UV). A QSAR model was proposed to correlate the experimental data.ResultsThe Antoine constants were determined and presented low standard deviations. The Clarke and Glew physically significant parameters were obtained along with its statistical analysis. The fitting is good since the magnitude order is in accordance with the literature, associated with the low correlation between the estimated parameters and low standard deviations. The presented correlation, based on a mixture using only ethanol as solvent, showed better results than previous QSAR models with a standard relative deviation (of 0.190, a standard error (SE) of 0.397 and a determination coefficient (R2) of 0.7786.ConclusionThe dataset is still small compared to larger and more general QSAR models; however, it is much more specific as to the type of solvent and class of materials studied. This work represents an advance for the modelling of the perfume diffusion process since it specifies important properties that until then had been treated in a more general way.

Country
Portugal
Keywords

Computer modelling, Evaporation, Statistics, Odorants, Thermogravimetry, Franz diffusion cell, Penetration, Gas Chromatography-Mass Spectrometry, Permeability, Perfume

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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