Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 211-322-8 | CAS number: 638-16-4
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Water solubility:
- 1.34 g/L
- at the temperature of:
- 25 °C
Additional information
The water solubility of the test substance depends on the pH-value and has been predicted by QSAR method. Based on the ACD model, the calculated solubility of the keto form 1,3,5 -triazine-2,4,6 -trithione in pure water is estimated to 1.34 g/L at pH= 4.24. The solubility in water increases with pH, from pH 4 (1.33 g/L) to pH 14 (1000 g/L). The solubility will not change at pH values above 9.9 (1000 g/L). The pH dependence of the solubility value results from the pH dependence of the ratio between the concentrations of the undissociated organic acid and the ionic species formed from the neutral acid.
These results are supported by second QSAR calculation. A water solubility of 4.4 g/L has been predicted using the Waternt model and a water solubility of 1.4 g/L has been predicted by the WSKOW model of EPIsuite. Lower solubility values have been reported in a publication. However, the pH-level has not been reported.
Overall, the test substance is estimated to have a good water solubility at netural or basic pH-levels. The test substance is predicted to be less soluble in pure water or at lower/acidic pH-levels.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
