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Physical & Chemical properties

Water solubility

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Description of key information

Water solubility = 0.21 µg/L - 83 µg/L - 0,0005 µg/L (arithmetic means of QSAR estimations) for the three main constituents.
The substance is considered insoluble.


Key value for chemical safety assessment

Water solubility:
0.021 mg/L
at the temperature of:
25 °C

Additional information

An experimental study was conducted according to the flask method, but could only provide a limit value of solubility < 10 mg/L from the preliminary assay, as the analytical method was inadequate, and the main test measured solubility of minor components.

In order to determine a fixed value for the environmental risk assessment, the water solubility of the three major components of test substance were estimated using QSAR calculations. Four models were used in a weight of evidence approach, as not assignable. Wskowwin and SPARC showed very consistent results, respectively in the range 10-5, 10-8 and 10-2 mg/L; WaterNT was about 10 times higher; results from VCClab were much higher, between 0.02 and 2 mg/L, and were therefore considered as unlikely, and discarded. The arithmetical mean value of the final 3 results will be retained for individual components: 2.1 10 -4 mg/L (0.21 µg/L) for the major component of test substance, and 5 10-7 mg/L (0.0005 µg/L) and 0.083 mg/L (83 µg/L) for the two other components.

For the purpose of the chemical safety assessment, the key water solubility value is determined to be 21 µg/L at 25°C.