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Water solubility

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Description of key information

Key information:
- water solubility at 20°C: < 0.1 mg/L (OECD 105, read-across from supporting substance '1,3,4-Thiadiazolidine-2,5-dithione, reaction products with hydrogen peroxide and tert-nonanethiol')
Supporting information:
- water solubility at 20°C: < 1.2 mg/L (OECD 105, the analytical method was not sensitive enough to quantify the concentration / insolubilty of the test item);
- water solubility at 25 °C based on QSAR: 0.000049 mg/L (EPIWIN/WSKOWWIN v1.42 by US-EPA).

Key value for chemical safety assessment

Water solubility:
0.1 mg/L
at the temperature of:
20 °C

Additional information

The key value was determined on the supporting substance '1,3,4-Thiadiazolidine-2,5-dithione, reaction products with hydrogen peroxide and tert-nonanethiol' according to OECD 105. Using the flask method the water solubility was determined to be < 0.1 mg/L (at 20°C) at pH 4.5.

The predicted insolubility of the closely related substance '1,3,4-Thiadiazolidine-2,5-dithione, reaction products with hydrogen peroxide and tert-dodecanethiol' was confirmed on the one hand by experimental data from the substance '1,3,4-Thiadiazolidine-2,5-dithione, reaction products with hydrogen peroxide and tert-dodecanethiol' whereat the analytical method was not sensitive enough to quantify the concentration / insolubility of the test item and on the other hand by a QSAR estimated value (WSKOW v1.42 by US EPA): both results show that the water solubility is below 0.1 mg/L (at 20°C and 25°C, respectively). It should be noted that for the estimation software a partition coefficient (logPow) of 8 was taken into account since this value represents the maximum valid logPow value in EUSES or EU-TGD approach.

Finally, it is safe to say that the water solubility of the target substance ‘1,3,4-Thiadiazolidine-2,5-dithione, reaction products with hydrogen peroxide and tert-dodecanethiol’ cannot be higher than the one of the short-chain homologue '1,3,4-Thiadiazolidine-2,5-dithione, reaction products with hydrogen peroxide and tert-nonanethiol'.