Criteria for a Critical Selection of Hydrophobic (Deep) Eutectic Mixtures

Hydrophobic deep eutectic solvents (hDESs) and, in general, hydrophobic low-melting mixtures (hLMMs) represent a burgeoning field of research. This study delves into the characterization of hLMMs, aiming to streamline the selection process for specific applications by identifying key parameters governing their properties. A testing set comprising 53 stable hLMMs, prepared from seven natural compounds in various molar ratios, was systematically evaluated for intermolecular interactions, transport properties, and potential hazards. Through a comprehensive analysis, including spectral properties related to intermolecular interactions and sustainability metrics, a ranking system based on easily determined molecular properties was devised. Notably, this method complements traditional bulk solvatochromic or rheological parameters, offering a rapid, yet effective, means of screening hLMMs. While adaptable and extendable to include additional physical properties, the simplicity and rapid response time of this approach stand as its primary strengths, facilitating its integration into diverse applications and future refinements.