Registration Dossier
Registration Dossier
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EC number: 239-491-3 | CAS number: 15471-17-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Calculation with KOCWIN v4.10 (EPIWIN software by US-EPA), organic-normalized sorption coefficient (Koc): 28.87 L/kg (MCI method estimation)
Key value for chemical safety assessment
- Koc at 20 °C:
- 28.87
Additional information
The prediction for soil adsorption property of the test substance was determined by the computer program KOCWIN v2.00 (EPIWIN software) by US-EPA (Chemservice S.A., 2011). The program estimates the organic-normalized sorption coefficient for soil, which is designated as Koc. The following two models are used: the Salbjic molecular connectivity (MCI) method as well as the traditional method which is based on the logPow value of the substance. Due to the implementation of correction factors, the MCI method gives more reliable results predicting a Koc value of 28.87 L/kg. The traditional method gives a value of 4.12 L/kg. It is noted that these results represent a best-fit to the majority of experimental values. However, the Koc value may be influenced by the surrounding pH. No GLP criteria are applicable for the usage of this tool, but due to the fact that it is a scientifically accepted calculation method the estimations performed are reliable with restrictions and can be used for the chemical safety assessment.
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