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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Additional information on environmental fate and behaviour

Administrative data

additional information on environmental fate and behaviour
Type of information:
Adequacy of study:
key study
2 (reliable with restrictions)
Justification for type of information:
SimpleTreat is an assessment tool for the fate of substances in waste water treatment plants. The tool considers the most important processes like volatilization, mixing, adsorption and degradation. Beside the use as a research tool, SimpleTreat 4.0 is used to assess substances in accordance to REACH (Registration, Evaluation, Authorization and restriction of Chemicals) and other regulations of substances in the EU, such as biocides, medicines and plant protection products.

This document describes the technical details, construction and operation of the fully revised multimedia fate model Simplebox 3.0. Former versions of Simplebox have been used for prediction of intermedia concentration ratios in order to harmonisation of environmental quality objectives. Also Simplebox is (partly) built in the "European Union System for the Evaluation of Substances" (EUSES) As an illustration a fully worked out example computation is admitted Simplebox 3.0 is a nested multi-media fate model of the “Mackay type”. The environment is modelled as a set of forty well-mixed, homogeneous compartments (air, fresh water and marine water compartments, sediment, soil and vegetation compartments) on a local., regional, continental and global scale. The global scale represents the Northern Hemisphere and contains a moderate, arctic and tropical zone. The model needs substance properties, emission rates and transformation rate constants as input and computes steady-state concentrations for all boxes as output. Simplebox is a generic model in the sense that it can be customised to represent specific environmental situations. With respect to Simplebox 2.0, several changes have been made. The main modifications are the addition of a local scale nested in the regional scale and refinement of the seawater currents between the regional, continental and moderate zone of the global scale. All parameters are renamed and the lay out of the model has been changed.

Further information about the QSAR is available at

Data source

Reference Type:
other: SimpleTREAT model output
Report date:

Materials and methods

Results and discussion

Applicant's summary and conclusion

98.1% of the substance is eliminated by industrial or waste water treatment. Remaining 1.9% are discharged to effluents.
Executive summary:

STP clearance model SimpleTreatTM(RIVM) shows that 98.1% of the substance is eliminated by industrial or waste water treatment. Remaining 1.9% are discharged to effluents. The local maximum concentration of dissolved substance in industrial and municipal effluents is 0.38 µg/L.