Evaporation and Permeation of Fragrance Applied to the Skin

Almeida, Rafael Nolibos; Costa, Patrícia; Pereira, João Manuel; Cassel, Eduardo; Rodrigues, Alı́rio E.

doi:10.1021/acs.iecr.9b01004

Cited by 20 publications

(15 citation statements)

References 27 publications

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“…One of the main goals of the present work is to correlate the experimental fragrance material data obtained from the permeation experiments with an ethanolic solution, an essential solvent of perfumes. In our previous work, a model for the combined process of permeation and evaporation from skin was proposed [29]. Differences were found between the experimental permeability coefficients and those obtained by Guy [33], and the relevance of the vehicle–skin interaction, as well as the saturation on the surface were demonstrated.…”

Section: Resultsmentioning

confidence: 99%

“…A finite dose model, which accounts quantitatively for depletion of chemical due to skin uptake and its evaporation from the skin surface was presented by and, among other properties, it requires permeability coefficient data [29]. The experimental flux for each substance is obtained from the in vitro skin permeation experiments (Franz diffusion cell).…”

Section: Methodsmentioning

confidence: 99%

“…Recently, a mathematical model based on a differential mass balance for predicting the evaporation and permeation profiles of fragrance systems applied to skin was reported [29]. In this previous study, three fragrance systems were studied: ethanol/limonene, ethanol/linalool and ethanol/α‐pinene.…”

Section: Introductionmentioning

confidence: 99%

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Permeability coefficients and vapour pressure determination for fragrance materials

Almeida

Hartz

Costa

et al. 2021

Intern J of Cosmetic Sci

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Objective This study aims to correlate new experimental data relevant to the description of the combined evaporation/permeation process of a perfume applied onto the skin. Methods The 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. Results The 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 (σr) of 0.190, a standard error (SE) of 0.397 and a determination coefficient (R2) of 0.7786. Conclusion The 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.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Permeability coefficients and vapour pressure determination for fragrance materials

Almeida

Hartz

Costa

et al. 2021

Intern J of Cosmetic Sci

Self Cite

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“…The effect of the skin was studied in our lab with a Franz cell using skin prepared from pig ears according to the protocol described elsewhere [ 40 ]. The Franz cell shown in Figure 16 contains a donor compartment where the fragrance mixture is placed and a receptor compartment separated from the donor by the membrane (skin).…”

Section: The Effect Of Matrix and Skinmentioning

confidence: 99%

Perfume and Flavor Engineering: A Chemical Engineering Perspective

2021

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In the last two decades, scientific methodologies for the prediction of the design, performance and classification of fragrance mixtures have been developed at the Laboratory of Separation and Reaction Engineering. This review intends to give an overview of such developments. It all started with the question: what do we smell? The Perfumery Ternary Diagram enables us to determine the dominant odor for each perfume composition. Evaporation and 1D diffusion model is analyzed based on vapor-liquid equilibrium and Fick’s law for diffusion giving access to perfume performance parameters. The effect of matrix and skin is addressed and the trail of perfumes analyzed. Classification of perfumes with the perfumery radar is discussed. The methodology is extended to flavor and taste engineering. Finally, future research directions are suggested.

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“…The diffusion of perfumes and fragrances in the air has been recently the object of study through a differential mass transfer approach 4,6–8 . The thermodynamics is well‐described by the available methods and one‐dimensional (1‐D) mass transfer models were proposed and validated 9,10 .…”

Section: Introductionmentioning

confidence: 99%

Radial diffusion model for fragrance materials: Prediction and validation

et al. 2021

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A predictive model based on Fick's second law for radial diffusion is proposed and validated for modeling the diffusion of fragrance materials. A pure component, two binary systems, and a ternary system were used for validation. The model combines the prediction model to represent the liquid phase nonidealities, using the UNIFAC group contribution method, with the Fickian radial diffusion approach. The experimental headspace concentrations were measured in a diffusion chamber using the solid‐phase microextraction technique and quantified using gas chromatography with a flame ionization detector. The numerical solutions were obtained along with an analytical model considering constant surface concentration. The odor intensities of the studied systems were calculated using Stevens' power law and the strongest component model, respectively. The numerical simulation presented good adherence to the experimental gas concentration data. The proposed methodology is an efficient and validated tool to assess the radial diffusion of fragrance and volatile systems.

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Evaporation and Permeation of Fragrance Applied to the Skin

Cited by 20 publications

References 27 publications

Permeability coefficients and vapour pressure determination for fragrance materials

Permeability coefficients and vapour pressure determination for fragrance materials

Perfume and Flavor Engineering: A Chemical Engineering Perspective

Radial diffusion model for fragrance materials: Prediction and validation

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