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EC number: 211-989-5 | CAS number: 732-26-3
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
The water solubility of the test material was determined to be 0.063 mg/L at 20 °C.
Key value for chemical safety assessment
- Water solubility:
- 0.063 mg/L
- at the temperature of:
- 20 °C
Additional information
There are two studies available to address this endpoint, one key and one supporting.
In the key study, the water solubility of the test material was investigated using the column elution method in a study which was performed under GLP conditions and in accordance with the standardised guidelines OECD 105, EU Method A.6 and US EPA OPPTS 830.7840. The study has been awarded a reliability score of 1 in accordance with the criteria of Klimisch et al. (1997).
A solution with an absolute test material quantity of 54.0 mg was prepared in acetone and the solution was mixed with the column material. A column was filled with the carrier material and double distilled water was pumped through the column until it was completely filled. The system was allowed to equilibrate for two hours. The system was subsequently stabilised overnight using a flow rate of 12 mL/hour. After the stabilisation period, the column was eluted overnight with double distilled water at a flow rate of 12 mL/hour. The following day the flow was increased to 24 mL/hour. Ten consecutive samples of 2 mL were taken. The flow was halved to 12 mL/hour and ten consecutive samples of 2 mL were taken. Analysis was performed on subsamples of 0.5 mL. The eluates were checked for the presence of undissolved particles using a turbidimeter.
The coefficient of variation (CV) was ≤ 30 % at both flow rates. It demonstrated that the system was equilibrated at all flow rates. The maximum difference (MD) on the mean values of the samples at both flow rates was also ≤ 30 %. Based on this, the water solubility of the test material is given as the mean value of these measurements. The turbidity of the eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates. Furthermore, no test material was detected in the samples from the blank control column.
Under the conditions of the study, the water solubility of the test material was determined to be 0.063 mg/L at 20 °C.
In the supporting study, the water solubility of the test material was estimated using the WSKOWWIN model v1.42 (EPI Suite v4.11). The study was awarded a reliability score of 2 in accordance with the criteria of Klimisch et al. (1997).
The WSKOWWIN model estimates the water solubility (WSol) of an organic compound using the compound’s log octanol-water partition coefficient (Kow). The molecular weight of the test material is within the training set range.
The water solubility was calculated to be 0.512 mg/L at 25 °C.
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