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Description of key information

The log Koc of the substance should be stated as a range of 3.83-14.1, based on the calculated log Koc values of the individual components.

Key value for chemical safety assessment

Koc at 20 °C:
6 696

Additional information

During pre-tests for the determination of the log POW of the substance using the HPLC method according to OECD 117 resp. EU A.8 it became obvious that the solubility of the test item was not sufficient for evaluation using UV or light scattering detection. The following solubility values were obtained with the tested solvents:

·        Methanol: < 1 g/L

·        Acetonitril: < 1 g/L

·        Isopropanol: < 1 g/L

·        Tetrahydrofuran: > 2 g/L

After addition of water, at least parts of the dissolved material precipitated. As the solubility of different components usually differs,this finding aroused doubts if the dissolved material is representative for the test item.

As the same restrictions regarding detection and solvent selection apply for the determination of the adsorption coefficient as for the n-octanol/water partition coefficient, a calculation of the log KOC based on the known and expected components of the test item was recommended by the study director.

Log Koc value for the substance was calculated with a widely used QSAR model developed by EPA, KOCWIN v. 2.00.

Each individual component of this UVCB substance has been evaluated separately.

The predicted Log Koc is in the range 3.83 - 14.1, based on the calculated log Koc values of the individual components.

Each component falls within the applicability domain of the model, thus all predictions can be considered of high reliability. A QMRF for the model and a QPRF for the prediction are available.

[LogKoc: 3.83]