Bio-based alternatives to volatile silicones: Relationships between chemical structure, physicochemical properties and functional performances

Goussard, Valentin; Aubry, Jean‐Marie; Nardello‐Rataj, Véronique

doi:10.1016/j.cis.2022.102679

Cited by 15 publications

(14 citation statements)

References 58 publications

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“…Previous studies have linked density, surface tension, viscosity, and spreadability to functional emollient performances. ,, The novel emollients were then assessed for these four characteristics and compared to two reference emollients: pentaerythrityl tetraethylhexanoate (DUB PTO) and castor oil. DUB PTO is a star-shaped ramified fatty ester used to give consistency and structure to cosmetic creams, ,, and castor oil is a vegetable oil which is known for its high viscosity .…”

Section: Resultsmentioning

confidence: 99%

“…Several studies have been carried out on the extraction and/or modification of biobased molecules to be used as high-added-value compounds for cosmetic applications, such as UV filtering, − antioxidant, ,, antimicrobial, , or antityrosinase , activities. In 2022, Goussard et al published a review on biobased alternatives to volatile silicones. This review presents emollients such as hydrocarbons and oxygenated oils (e.g., fatty esters) that can either be petroleum- or biobased.…”

Section: Introductionmentioning

confidence: 99%

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Novel Biobased Multifunctional Emollients for Cosmetic Applications: Toward the Ingredient-List Reduction

Rischard,

Flourat,

Broche

et al. 2023

ACS Sustainable Chem. Eng.

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The use of several ingredients in cosmetic formulations can often result in long ingredient lists, which can be daunting for consumers. While each of these particular ingredients serves a purpose, some are petroleum-based and may have adverse effects on the environment and human health. Ferulic acid, a p-hydroxycinnamic acid present in numerous agro-industrial byproducts, exhibits antimicrobial, antioxidant, and UV-filtering properties. In this work, ferulic acid was functionalized through chemoenzymatic reaction steps (80 to 93% isolated yields) applying green chemistry principles, by using various natural fatty alcohols. The resulting compounds have demonstrated good emollient properties through physicochemical and spreading evaluations. Two green metrics (Mass Intensity and Ecoscale) were used to assess the synthesis of these novel emollients, which were found to have a very low environmental impact. The findings of this study could provide a novel solution for multifunctional, biobased ingredients in cosmetic formulations while reducing the environmental impact of the products.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Novel Biobased Multifunctional Emollients for Cosmetic Applications: Toward the Ingredient-List Reduction

Rischard,

Flourat,

Broche

et al. 2023

ACS Sustainable Chem. Eng.

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“…Indeed, the comparison of homologous oils having the same number of carbons but carrying various chemical functions makes it possible to deduce the effect of a given function on the EACN of oils. Furthermore, for practical applications, C8 to C15 phenols, terpenes, , and terpenoids are particularly frequent in perfumery, while C12 to C18 alkanes, esters, and ethers are widely used as emollients to prepare cosmetic emulsions . It is therefore crucial to reliably predict the EACN of oils with a reduced number of carbons (≤20).…”

Section: Resultsmentioning

confidence: 99%

“…Furthermore, for practical applications, C8 to C15 phenols, 51 terpenes, 15,52 and terpenoids 19 are particularly frequent in perfumery, while C12 to C18 alkanes, esters, and ethers are widely used as emollients to prepare cosmetic emulsions. 53 It is therefore crucial to reliably predict the EACN of oils with a reduced number of carbons (≤20).…”

Section: Eacn Prediction Of Homologousmentioning

confidence: 99%

Fast Prediction of the Equivalent Alkane Carbon Number Using Graph Machines and Neural Networks

et al. 2022

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The hydrophobicity of oils is a key parameter to design surfactant/oil/water (SOW) macro-, micro-, or nanodispersed systems with the desired features. This essential physicochemical characteristic is quantitatively expressed by the equivalent alkane carbon number (EACN) whose experimental determination is tedious since it requires knowledge of the phase behavior of the SOW systems at different temperatures and for different surfactant concentrations. In this work, two mathematical models are proposed for the rapid prediction of the EACN of oils. They have been designed using artificial intelligence (machine-learning) methods, namely, neural networks (NN) and graph machines (GM). While the GM model is implemented from the SMILES codes of a 111-molecule training set of known EACN values, the NN model is fed with some σ-moment descriptors computed with the COSMOtherm software for the 111-molecule set. In a preliminary step, the leave-one-out algorithm is used to select, given the available data, the appropriate complexity of the two models. A comparison of the EACNs of liquids of a fresh set of 10 complex cosmetic and perfumery molecules shows that the two approaches provide comparable results in terms of accuracy and reliability. Finally, the NN and GM models are applied to nine series of homologous compounds, for which the GM model results are in better agreement with the experimental EACN trends than the NN model predictions. The results obtained by the GMs and by the NN based on σ-moments can be duplicated with the demonstration tool available for download as detailed in the Supporting Information.

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“…When in contact with skin, which is a polar surface, the polar siloxane backbone stays in contact with the skin surface, whereas the organic groups shift outwards, resulting in a shield effect and an overall hydrophobic surface. The appreciated after-feel, a dry, light, velvety, and non-tacky sensation, is justified by the material volatility combined with high vapor pressure and low heat of vaporization, allowing quick evaporation after skin application [74]. Since silicones are non-reactive, stable, and biologically inert, they are associated with a strong safety profile [73].…”

Section: Siliconesmentioning

confidence: 99%

How to Promote Skin Repair? In-Depth Look at Pharmaceutical and Cosmetic Strategies

et al. 2023

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Skin repair encompasses epidermal barrier repair and wound healing which involves multiple cellular and molecular stages. Therefore, many skin repair strategies have been proposed. In order to characterize the usage frequency of skin repair ingredients in cosmetics, medicines, and medical devices, commercialized in Portuguese pharmacies and parapharmacies, a comprehensive analysis of the products’ composition was performed. A total of 120 cosmetic products, collected from national pharmacies online platforms, 21 topical medicines, and 46 medical devices, collected from INFARMED database, were included in the study, revealing the top 10 most used skin repair ingredients in these categories. A critical review regarding the effectiveness of the top ingredients was performed and an in-depth analysis focused on the top three skin repair ingredients pursued. Results demonstrated that top three most used cosmetic ingredients were metal salts and oxides (78.3%), vitamin E and its derivatives (54.2%), and Centella asiatica (L.) Urb. extract and actives (35.8%). Regarding medicines, metal salts and oxides were also the most used (47.4%) followed by vitamin B5 and derivatives (23.8%), and vitamin A and derivatives (26.3%). Silicones and derivatives were the most common skin repair ingredients in medical devices (33%), followed by petrolatum and derivatives (22%) and alginate (15%). This work provides an overview of the most used skin repair ingredients, highlighting their different mechanisms of action, aiming to provide an up-to-date tool to support health professionals’ decisions.

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Bio-based alternatives to volatile silicones: Relationships between chemical structure, physicochemical properties and functional performances

Cited by 15 publications

References 58 publications

Novel Biobased Multifunctional Emollients for Cosmetic Applications: Toward the Ingredient-List Reduction

Novel Biobased Multifunctional Emollients for Cosmetic Applications: Toward the Ingredient-List Reduction

Fast Prediction of the Equivalent Alkane Carbon Number Using Graph Machines and Neural Networks

How to Promote Skin Repair? In-Depth Look at Pharmaceutical and Cosmetic Strategies

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