Alternative solvents for extraction of food aromas. Experimental and COSMO-RS study

This study evaluates the performance of eight alternative solvents (alpha-pinene, MeTHF, Ethyl acetate, Ethyl lactate, Butanol, Isopropanol, Ethanol, Dimethylcarbonate) compared to n-hexane for extraction of food aromas from caraway seeds. It has been performed via experimentation and via predictive method COSMO-RS (Conductor like screening model - realistic solvatation) that uses a statistical thermodynamics approach based on the result of quantum chemical calculation, for comprehension of dissolving mechanism. Experimentally, aroma's extract from caraway seeds were analyzed by GC-FID or GC-MS to compare the solvent's performance in terms of major flavors compounds and in terms of yields and selectivity between the two major compounds: limonene and carvone. The results indicated that ethyl acetate and dimethylcarbonate (DMC) could be promising solvents for n-hexane substitution in extraction of food aromas. These alternative solvents give a similar aromatic profile and a better selectivity of carvone as major aromatic oxygenated monoterpene. (C) 2014 Elsevier Ltd. All rights reserved.