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EC number: 211-989-5
CAS number: 732-26-3
The water solubility of the test material was determined to be 0.063 mg/L at 20 °C.
There are two studies available to address this endpoint, one key and
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
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
The water solubility was calculated to be 0.512 mg/L at 25 °C.
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