Eissen, Marco, Jürgen O. Metzger. ENVIRONMENTAL ASSESSMENT TOOL FOR ORGANIC SYNTHESIS (EATOS)
FB9 Carl-von-Ossietzky-Str. 9-11, 26111 Oldenburg, Germany (marco.eissen@mail.uni-oldenburg.de)
The newly developed computer program EATOS performs calculation of the Sheldon approach to determine the environmental impact of chemical reactions [1] by quantifying the environmental factor E (amount of waste/product), the unfriendliness quotient Q and the environmental index EI=ExQ [2]. Chemical data can be converted to a substance specific unfriendliness quotient Q. Environmental indices EI as well as mass balances of different (sequences of) syntheses can be compared in a graphical interactive presentation. Only stoichiometric equation and amounts of raw materials are necessary for the determination of mass balances. EATOS can easily be used to discuss/compare chemical reactions with respect to their environmental impact and to improve them to become more environmentally benign.
[1] R.A. Sheldon, Chemtech 1994,3, 38-47
[2] K. Hungerbühler, Ind. Eng. Chem. Res. 1998,37, 3395-3413; Ind. Eng. Chem. Res. 2000,37, 960-972