DES Ecoscale: A Quantitative Sustainability Assessment Framework for Deep Eutectic Solvents
7 affiliations
- 1Department of Chemistry
- 2University of Burgos
- 3International Research Centre in Critical Raw Materials-ICCRAM
- 4Department of Physics
- 5University of Las Palmas de Gran Canaria
- 6Department of Chemical and Paper Engineering
- 7Western Michigan University
Abstract
High Resolution Image Download MS PowerPoint Slide Deep eutectic solvents (DESs) are widely proposed as sustainable alternatives to conventional solvents, yet their environmental performance is often inferred from qualitative arguments or process-focused metrics that fail to capture solvent-specific hazards and lifecycle effects. Herein, we introduce the DES Ecoscale, a quantitative 100-point sustainability assessment framework specifically developed for deep eutectic solvents and aligned with safe-and-sustainable-by-design (SSbD) principles. The framework integrates five lifecycle-relevant dimensions: component sustainability, synthesis conditions, physicochemical properties and performance, application-phase considerations, and end-of-life behavior, with application-specific variants enabling context-aware evaluation. Validation across 15 representative DES and NADES systems yields scores ranging from 66 to 98 points, clearly discriminating between sustainable and problematic formulations. Natural deep eutectic solvents composed of GRAS-approved components consistently achieve excellent sustainability ratings, while synthetic systems score significantly lower. Statistical analysis confirms framework robustness: NADES systems outperform synthetic DESs (96.5 ± 1.3 vs 78.5 ± 8.9 points, p < 0.001), and component sustainability and physicochemical properties together explain 84% of the variance in total scores. Comparison with established green chemistry metrics demonstrates that conventional tools fail to distinguish DES sustainability when hazards arise from component identity rather than synthesis efficiency, as illustrated by a 24-point difference between choline chloride/urea and choline chloride/phenol resolved only by the DES Ecoscale. Implemented as an operational computational tool, the DES Ecoscale represents a validated first-generation screening framework enabling rapid, transparent, and reproducible sustainability screening for Type III and Type V DES systems, providing actionable guidance for solvent design, selection, and optimization across research, industrial, and regulatory contexts.
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BibTeX
@article{delahuertasainz2026ecoscale,
title = {{DES Ecoscale: A Quantitative Sustainability Assessment Framework for Deep Eutectic Solvents}},
author = {Sergio de-la-Huerta-Sainz and Valentin Diez Cabanes and Sara Santamaria and María Antonieta Escobedo-Monge and Pedro Angel Marcos and Alfredo Bol and José Luis Trenzado and Mert Atilhan and Santiago Aparício},
journal = {ACS Sustainable Chemistry \& Engineering},
year = {2026},
month = jun,
doi = {10.1021/acssuschemeng.6c01738},
url = {https://doi.org/10.1021/acssuschemeng.6c01738},
note = {CC BY},
}
RIS
TY - JOUR
TI - DES Ecoscale: A Quantitative Sustainability Assessment Framework for Deep Eutectic Solvents
AU - Sergio de-la-Huerta-Sainz
AU - Valentin Diez Cabanes
AU - Sara Santamaria
AU - María Antonieta Escobedo-Monge
AU - Pedro Angel Marcos
AU - Alfredo Bol
AU - José Luis Trenzado
AU - Mert Atilhan
AU - Santiago Aparício
PY - 2026
DA - 2026/06/17
JO - ACS Sustainable Chemistry & Engineering
DO - 10.1021/acssuschemeng.6c01738
UR - https://doi.org/10.1021/acssuschemeng.6c01738
AB - High Resolution Image Download MS PowerPoint Slide Deep eutectic solvents (DESs) are widely proposed as sustainable alternatives to conventional solvents, yet their environmental performance is often inferred from qualitative arguments or process-focused metrics that fail to capture solvent-specific hazards and lifecycle effects. Herein, we introduce the DES Ecoscale, a quantitative 100-point sustainability assessment framework specifically developed for deep eutectic solvents and aligned with safe-and-sustainable-by-design (SSbD) principles. The framework integrates five lifecycle-relevant dimensions: component sustainability, synthesis conditions, physicochemical properties and performance, application-phase considerations, and end-of-life behavior, with application-specific variants enabling context-aware evaluation. Validation across 15 representative DES and NADES systems yields scores ranging from 66 to 98 points, clearly discriminating between sustainable and problematic formulations. Natural deep eutectic solvents composed of GRAS-approved components consistently achieve excellent sustainability ratings, while synthetic systems score significantly lower. Statistical analysis confirms framework robustness: NADES systems outperform synthetic DESs (96.5 ± 1.3 vs 78.5 ± 8.9 points, p < 0.001), and component sustainability and physicochemical properties together explain 84% of the variance in total scores. Comparison with established green chemistry metrics demonstrates that conventional tools fail to distinguish DES sustainability when hazards arise from component identity rather than synthesis efficiency, as illustrated by a 24-point difference between choline chloride/urea and choline chloride/phenol resolved only by the DES Ecoscale. Implemented as an operational computational tool, the DES Ecoscale represents a validated first-generation screening framework enabling rapid, transparent, and reproducible sustainability screening for Type III and Type V DES systems, providing actionable guidance for solvent design, selection, and optimization across research, industrial, and regulatory contexts.
SN - 2168-0485
ER -