Integrating Safety Metrics and Regulatory Compliance for Green Solvent Selection in Sustainable Chemistry
DOI:
https://doi.org/10.61978/catalyx.v2i2.1330Keywords:
green solvents, SHE scores, REACH compliance, solvent selection, sustainability, chemical safety, regulatory screeningAbstract
The shift toward sustainable practices in chemical manufacturing necessitates the replacement of traditional solvents with safer, environmentally benign alternatives. This study proposes a dual-criteria evaluation framework that integrates Safety, Health, and Environmental (SHE) scores with REACH regulatory compliance to support green solvent selection. Using a curated dataset of solvents characterized by physical and operational risk metrics, the methodology identifies high-performing green solvents suitable for sustainable process design. Quantitative assessments were performed based on SHE scores (scale 1–10), flash point, boiling point, and regulatory status. Correlation analysis revealed key relationships between solvent physical properties and SHE risk indicators. Recommended solvents were further evaluated for practical applications in extraction, synthesis, and purification processes. Solvents such as ethanol, water, and propylene carbonate demonstrated favorable SHE profiles and full REACH compliance. Results confirmed the utility of simple scoring systems in streamlining solvent substitution while ensuring safety and regulatory alignment. The framework offers a transparent, efficient method for solvent screening, serving as a foundation for broader sustainability tools like Process Mass Intensity (PMI), E-Factor, and Life Cycle Assessment (LCA). This model enhances industrial decision-making by enabling safer and more sustainable solvent use. Its adaptability supports both laboratory-scale and industrial applications, promoting compliance and long-term environmental stewardship.
References
Ahmad, S. I., Faris, N. A., Sa’dan, S., Abidin, M. Z., & Hassim, M. H. (2023). Qualitative Inherent Safety Assessment for Flammability Evaluation of Deep Eutectic Solvent. Journal of Energy and Safety Technology (Jest), 5(2), 70–77. https://doi.org/10.11113/jest.v5n2.127 DOI: https://doi.org/10.11113/jest.v5n2.127
Bellasi, A., Binda, G., Pozzi, A., Galafassi, S., Volta, P., & Bettinetti, R. (2020). Microplastic Contamination in Freshwater Environments: A Review, Focusing on Interactions With Sediments and Benthic Organisms. Environments, 7(4), 30. https://doi.org/10.3390/environments7040030 DOI: https://doi.org/10.3390/environments7040030
Bonhomme, A., Buck, C., Gramlich, B., & Raab, M. E. (2022). Safe Liquid Scintillators for Large Scale Detectors. Journal of Instrumentation, 17(11), P11025. https://doi.org/10.1088/1748-0221/17/11/p11025 DOI: https://doi.org/10.1088/1748-0221/17/11/P11025
Brox, S., Röser, S., Husch, T., Streipert, B., Hildebrand, S., Wagner, R., Korth, M., Winter, M., & Cekic‐Laskovic, I. (2016). Novel Single-Solvent Electrolytes Based on Cyanoesters. Ecs Meeting Abstracts, MA2016-03(2), 1092–1092. https://doi.org/10.1149/ma2016-03/2/1092 DOI: https://doi.org/10.1149/MA2016-03/2/1092
Byrne, F., Jin, S., Paggiola, G., Petchey, T. H. M., Clark, J. H., Farmer, T. J., Hunt, A. J., McElroy, C. R., & Sherwood, J. (2016). Tools and Techniques for Solvent Selection: Green Solvent Selection Guides. Sustainable Chemical Processes, 4(1). https://doi.org/10.1186/s40508-016-0051-z DOI: https://doi.org/10.1186/s40508-016-0051-z
Costa, D., Martulli, A., Oever, A. v. d., Müller, A., Degens, R., Rajagopalan, N., Paetzold, U. W., Lizin, S., & Vermang, B. (2025). Life Cycle Assessment of Novel Two‐Terminal (2T) and Four‐Terminal (4T) Perovskite/Cigs Solar Cells. Progress in Photovoltaics Research and Applications, 33(11), 1271–1289. https://doi.org/10.1002/pip.70008 DOI: https://doi.org/10.1002/pip.70008
Esposito, M. C., Corsi, I., Russo, G. L., Punta, C., Tosti, E., & Gallo, A. (2021). The Era of Nanomaterials: A Safe Solution or a Risk for Marine Environmental Pollution? Biomolecules, 11(3), 441. https://doi.org/10.3390/biom11030441 DOI: https://doi.org/10.3390/biom11030441
Ghatta, A. A., James D. E. T. Wilton‐Ely, & Hallett, J. P. (2021). From Sugars to FDCA: A Techno-Economic Assessment Using a Design Concept Based on Solvent Selection and Carbon Dioxide Emissions. Green Chemistry, 23(4), 1716–1733. https://doi.org/10.1039/d0gc03991h DOI: https://doi.org/10.1039/D0GC03991H
Hansen, B., Spittle, S., Chen, B., Poe, D., Zhang, Y., Klein, J. M., Horton, A., Adhikari, L., Zelovich, T., Doherty, B., Gurkan, B., Maginn, E. J., Ragauskas, A. J., Dadmun, M., Zawodzinski, T. A., Baker, G. A., Tuckerman, M. E., Savinell, R. F., & Sangoro, J. (2020). Deep Eutectic Solvents: A Review of Fundamentals and Applications. Chemical Reviews, 121(3), 1232–1285. https://doi.org/10.1021/acs.chemrev.0c00385 DOI: https://doi.org/10.1021/acs.chemrev.0c00385
Kar, S., Sanderson, H., Roy, K., Benfenati, E., & Leszczyński, J. (2021). Green Chemistry in the Synthesis of Pharmaceuticals. Chemical Reviews, 122(3), 3637–3710. https://doi.org/10.1021/acs.chemrev.1c00631 DOI: https://doi.org/10.1021/acs.chemrev.1c00631
Kosnik, M. B., Hauschild, M. Z., & Fantke, P. (2022). Toward Assessing Absolute Environmental Sustainability of Chemical Pollution. Environmental Science & Technology, 56(8), 4776–4787. https://doi.org/10.1021/acs.est.1c06098 DOI: https://doi.org/10.1021/acs.est.1c06098
Lawrenson, S. B., Arav, R., & North, M. (2017). The Greening of Peptide Synthesis. Green Chemistry, 19(7), 1685–1691. https://doi.org/10.1039/c7gc00247e DOI: https://doi.org/10.1039/C7GC00247E
Lee, H. J., Lee, M., Lee, S. G., Yeo, U., & Chang, S. E. (2016). Evaluation of a Novel Device, High‐intensity Focused Ultrasound With a Contact Cooling for Subcutaneous Fat Reduction. Lasers in Surgery and Medicine, 48(9), 878–886. https://doi.org/10.1002/lsm.22576 DOI: https://doi.org/10.1002/lsm.22576
Maranghi, S., Parisi, M. L., Basosi, R., & Sinicropi, A. (2019). Environmental Profile of the Manufacturing Process of Perovskite Photovoltaics: Harmonization of Life Cycle Assessment Studies. Energies, 12(19), 3746. https://doi.org/10.3390/en12193746 DOI: https://doi.org/10.3390/en12193746
Maria Bernadete Pinto dos Santos, Aredes, R. S., Eiriz, D. N., Vasconcelos, S. C., Flávia Ferreira de Carvalho Marques, Duarte, L. M., Lima, C., & Lima, T. M. (2025). Green Solvents in Analytical Chemistry. 28–50. https://doi.org/10.1039/9781837676187-00028 DOI: https://doi.org/10.1039/9781837676187-00028
Meringolo, C., Mastropietro, T. F., Poerio, T., Fontananova, E., Filpo, G. D., Curcio, E., & Profio, G. D. (2018). Tailoring PVDF Membranes Surface Topography and Hydrophobicity by a Sustainable Two-Steps Phase Separation Process. Acs Sustainable Chemistry & Engineering, 6(8), 10069–10077. https://doi.org/10.1021/acssuschemeng.8b01407 DOI: https://doi.org/10.1021/acssuschemeng.8b01407
Müller, N., Zwart, D. d., Hauschild, M. Z., Kijko, G., & Fantke, P. (2016). Exploring REACH as a Potential Data Source for Characterizing Ecotoxicity in Life Cycle Assessment. Environmental Toxicology and Chemistry, 36(2), 492–500. https://doi.org/10.1002/etc.3542 DOI: https://doi.org/10.1002/etc.3542
Murugan, M., Tee, L. H., & Oh, K. S. (2021). Evaluation of the Environment Impact of Extraction of Bioactive Compounds From Darcyodes Rostrata Using Deep Eutectic Solvent (DES) Using Life Cycle Assessment (LCA). Journal of Physics Conference Series, 2120(1), 012005. https://doi.org/10.1088/1742-6596/2120/1/012005 DOI: https://doi.org/10.1088/1742-6596/2120/1/012005
Owczarek, K., Szczepańska, N., Płotka‐Wasylka, J., Rutkowska, M., Shyshchak, O., Bratychak, M., & Namieśnik, J. (2016). Natural Deep Eutectic Solvents in Extraction Process. Chemistry & Chemical Technology, 10(4s), 601–606. https://doi.org/10.23939/chcht10.04si.601 DOI: https://doi.org/10.23939/chcht10.04si.601
Purkait, A., Rana, D., Banerjee, A., Hazra, D. K., Biswas⃰, P. K., & Kole, R. K. (2022). Selection of Green Carrier Solvent for the Effective Creation of Bio-Inspired Liquid Formulation and Anti-Fungal Potency Evaluation. Archives of Microbiology, 204(11). https://doi.org/10.1007/s00203-022-03280-3 DOI: https://doi.org/10.1007/s00203-022-03280-3
Rajappa, M. C., Venkatasubramaniam, N., Kesavan, H., Basha, M., Dhandapani, D., Arulraj, M. J., & Velu, T. (2025). Comprehensive Review of Different Extraction Techniques Involving Green Solvents for Oil Extraction. Rasayan Journal of Chemistry, 18(04), 1948–1958. https://doi.org/10.31788/rjc.2025.1849424 DOI: https://doi.org/10.31788/RJC.2025.1849424
Rapinel, V., Claux, O., Vian, M. A., McAlinden, C., Bartier, M., Patouillard, N., Jacques, L., & Chemat, F. (2020). 2-Methyloxolane (2-MeOx) as Sustainable Lipophilic Solvent to Substitute Hexane for Green Extraction of Natural Products. Properties, Applications, and Perspectives. Molecules, 25(15), 3417. https://doi.org/10.3390/molecules25153417 DOI: https://doi.org/10.3390/molecules25153417
Ravivarman, G., Madhavan, V. M., Kalaiyarasan, A., Hemasilviavinothini, S., Nithyanandhan, T., Kesavan, S. P., & Girimurugan, R. (2023). Enhancing Efficiency and Cost-Effectiveness of Solar Stills Through Natural Fiber Integration. E3s Web of Conferences, 455, 02003. https://doi.org/10.1051/e3sconf/202345502003 DOI: https://doi.org/10.1051/e3sconf/202345502003
Rong, Y., Ming, Y., Ji, W., Li, D., Mei, A., Hu, Y., & Han, H. (2018). Toward Industrial-Scale Production of Perovskite Solar Cells: Screen Printing, Slot-Die Coating, and Emerging Techniques. The Journal of Physical Chemistry Letters, 9(10), 2707–2713. https://doi.org/10.1021/acs.jpclett.8b00912 DOI: https://doi.org/10.1021/acs.jpclett.8b00912
Sels, H., Smet, H. D., & Geuens, J. (2020). SUSSOL—Using Artificial Intelligence for Greener Solvent Selection and Substitution. Molecules, 25(13), 3037. https://doi.org/10.3390/molecules25133037 DOI: https://doi.org/10.3390/molecules25133037
Sharma, A. K., Sharma, R., & Singh, A. (2025). Deciphering the Meticulous Role of Safer Auxiliaries and Solvents: A Perspective. Journal of Biochemical and Molecular Toxicology, 39(8). https://doi.org/10.1002/jbt.70411 DOI: https://doi.org/10.1002/jbt.70411
Sheldon, R. A. (2017). Metrics of Green Chemistry and Sustainability: Past, Present, and Future. Acs Sustainable Chemistry & Engineering, 6(1), 32–48. https://doi.org/10.1021/acssuschemeng.7b03505 DOI: https://doi.org/10.1021/acssuschemeng.7b03505
Sportiello, L. (2024). Investigating the Use of Natural Hydrophobic Deep Eutectic Solvents for Extracting Carotenoids From Food and Food By-Products. Food Science and Nutrition Cases. https://doi.org/10.1079/fsncases.2024.0014 DOI: https://doi.org/10.1079/fsncases.2024.0014
Subramaniam, B., Helling, R. K., & Bode, C. J. (2016). Quantitative Sustainability Analysis: A Powerful Tool to Develop Resource-Efficient Catalytic Technologies. Acs Sustainable Chemistry & Engineering, 4(11), 5859–5865. https://doi.org/10.1021/acssuschemeng.6b01571 DOI: https://doi.org/10.1021/acssuschemeng.6b01571
Tobiszewski, M., Namieśnik, J., & Pena‐Pereira, F. (2017). Environmental Risk-Based Ranking of Solvents Using the Combination of a Multimedia Model and Multi-Criteria Decision Analysis. Green Chemistry, 19(4), 1034–1042. https://doi.org/10.1039/c6gc03424a DOI: https://doi.org/10.1039/C6GC03424A
Valderrama, C. J. M., Huamán, H. I. M., Valencia-Arías, A., Coronado, M. H. V., Cardona-Acevedo, S., & Delgado-Caramutti, J. G. A. (2023). Trends in Green Chemistry Research Between 2012 and 2022: Current Trends and Research Agenda. Sustainability, 15(18), 13946. https://doi.org/10.3390/su151813946 DOI: https://doi.org/10.3390/su151813946
Wang, L. (2025). Green Synthesis of Luminescent Perovskite Quantum Dots. Chemnanomat. https://doi.org/10.1002/cnma.202500243 DOI: https://doi.org/10.1002/cnma.202500243
Warokar, A., Mirashe, M., Mehar, P., Mahajan, U., Surjikar, C., & Chatki, P. K. (2025). Eco-Friendly Reversed-Phase Liquid Chromatography Methods Using Alternative Solvents for Pharmaceutical Analysis. Current Green Chemistry, 13. https://doi.org/10.2174/0122133461387038251005130740 DOI: https://doi.org/10.2174/0122133461387038251005130740
Yen, N. T. H., & Quoc, L. P. T. (2021). Chemical Composition of Dried Stevia Rebaudiana Bertoni Leaves and Effect of Ultrasound-Assisted Extraction on Total Steviosides Content in Extract. Herba Polonica, 67(1), 1–7. https://doi.org/10.2478/hepo-2021-0003 DOI: https://doi.org/10.2478/hepo-2021-0003
Zhang, Z., Liu, Y., Dai, Y., Zhang, H., Chen, Z., Shen, Y., Zhu, Z., & Wang, Y. (2020). Life Cycle Environmental Implications of Ionic-Liquid-Based Carbon Capture and Storage Processes and Its Alternative Improvement Cases. Acs Sustainable Chemistry & Engineering, 8(49), 18106–18113. https://doi.org/10.1021/acssuschemeng.0c06408 DOI: https://doi.org/10.1021/acssuschemeng.0c06408
Downloads
Published
How to Cite
Issue
Section
License
Copyright (c) 2026 Catalyx : Journal of Process Chemistry and Technology
This work is licensed under a Creative Commons Attribution 4.0 International License.
