This tool is brought to you by the ACS GCI Pharmaceutical Roundtable (GCIPR). It is an approximate duplicate of the original tool built by AstraZeneca in Spotfire, a propietary technology, and later donated to the ACS GCIPR. More information about the tool can be found in the original open access work below:听
Diorazio, L. J.; Hose, D. R. J.; Adlington, N. K.,听Org. Process Res. Dev.听2016,听20, 760-773
Version: v2.0.0
Release: November 2019
Author: ACS GCI Pharmaceutical Roundtable
Start Here!听Principles and Guidance听for the Solvent Selection Tool
General Hints & Tips on how to use the Solvent Selection Tool
This tool allows you interactively select solvents based upon the Principal Component Analysis (PCA)听of the solvent's physical properties. Solvents which are close to each other in the map have similar physical and chemical properties, whereas distance solvents are significantly different. In addition to the PCA scores other data including the physical properties, functional groups and environmental data has been included to aid in the rational selection of solvents.
- 272听Solvents听(research, process and next generation green solvents)
- Based upon听70 Physical Properties听(30 experimental, 40 calculated)
- Properties have been selected to capture aspects of the solvent's polarity, polarizability and hydrogen-bonding ability.
- Solvents can be selected or excluded based upon which functional groups are present (solvent compatibility)
- Impact categories included.
- Health, Impact in Air, Impact in Water and听Life-Cycle Assessment.
- ICH Solvent Information (ICH class and concentration limits).
- Data relating to plant accommodation has been included.
- Auto Ignition / T_Rating, Flash Point / Flammability, Viscosity, VOC Potential, Enthalpy of Vaporization and Heat Capacity.
- Data can be exported for use in other packages for additional analysis or Design of Experiement (DoE).听
This tool allows you interactively select solvents based upon the Principal Component Analysis (PCA)听of the solvent's physical properties. Solvents which are close to each other in the map have similar physical and chemical properties, whereas distance solvents are significantly different. In addition to the PCA scores other data including the physical properties, functional groups and environmental data has been included to aid in the rational selection of solvents.
Questions?
We welcome your comments and questions. Please email听gcipr@acs.org
DISCLAIMER
The American Chemical 中国365bet中文官网 Green Chemistry Institute鈥檚 Pharmaceutical Roundtable (鈥渢he Roundtable鈥�) has created this Solvent Selection Tool to inform and guide users towards greener and safer solvents for selected criteria. The Roundtable has used reasonable efforts in collecting, preparing and providing quality information and material, but does not warrant or guarantee the accuracy, completeness, adequacy or currency of the information contained in the Solvent Selection Tool. The Solvent Selection Tool is meant to be a predictive model, but it is not conclusive; the solvent tool should be critically accessed by occupational hygienists and other experts of any institute using it.听By downloading, viewing and utilizing information from the Solvent Selection Tool visitors assume full responsibility for their own actions and any damages or liabilities that may result from the utilization of information obtained from the Solvent Selection Tool. Should you have any questions or comments about the Solvent Selection Tool or this disclaimer, please send an e-mail to听gcipr@acs.org.
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