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EC number: 422-030-7 | CAS number: 91538-82-8
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 23.11.2005 - 23.02.2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Key result
- Water solubility:
- < 0.011 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- pH:
- >= 5.8 - <= 6.3
- Conclusions:
- The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method. It was found to be cs <0.0114 mg/L.
- Executive summary:
The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 14 mg/L. The column elution method showed a solubility: cs <0.0114 mg/L.
Reference
Preliminary test
Preliminary tests were carried out with specified amounts of the test item and 0.1 mL and 1000 mL demineralized water, respectively. After each addition of an amount of water, the mixture was stirred for 24 hours or treated with ultrasound, and visually checked for any undissolved particles.
Table: Results of the preliminary test
Amount of test item /mg |
Total volume of demineralized water / mL |
Appearance of mixture |
103.7 |
0.1 |
Not dissolved |
103.7 |
0.5 |
Not dissolved |
103.7 |
1 |
Not dissolved |
103.7 |
2 |
Not dissolved |
103.7 |
10 |
Not dissolved |
103.7 |
100 |
Not dissolved |
9.55 |
100 |
Not dissolved |
13.58 |
500 |
Not dissolved |
13.36 |
1000 |
Not dissolved |
The preliminary test showed that the water solubility of the test item is < 13.36 mg/L. According to the preliminary test the water solubility was determined by the column elution method in the main test.
Column elution method
105.15 mg of the test item were dissolved in100 mL in acetone. For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator(40 °C, approx. 20 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature:20 °C; water pH at 25.2°C: 6.0). After a swelling time of 2 h pumps were started to rinse the test item coated sand with demineralized water. At the end of the study it was confirmed that residual test item remained on the columns. The residual test item was eluted with100 mL acetone. The eluate was diluted from 0.1 mL to 10 mL and again from 0.5 mL to 1.0 mL with acetonitrile. As blank value demineralized water was tested. No signal was detected in the range of the retention time of the test item. The concentration of the test item was quantified by HPLC.
Column 1:
Rotation period of the fraction collector: 90min per fraction
Duration of sampling: about 67.5 h (45 fractions)
Table column elution method, column 1 (approx. 11.0 mL/h)
Fraction no |
V / mL |
pH |
Water solubility /mg/L |
11 |
16.5 |
6.3 |
<0.0114 |
12 |
16.5 |
6.0 |
<0.0114 |
13 |
16.5 |
5.9 |
<0.0114 |
14 |
16.5 |
6.3 |
<0.0114 |
15 |
16.5 |
6.1 |
<0.0114 |
21 |
16.5 |
6.1 |
<0.0114 |
22 |
16.5 |
6.2 |
<0.0114 |
23 |
16.5 |
6.1 |
<0.0114 |
24 |
16.5 |
6.1 |
<0.0114 |
25 |
16.5 |
6.0 |
<0.0114 |
26 |
16.5 |
6.0 |
<0.0114 |
27 |
16.5 |
6.0 |
<0.0114 |
28 |
16.5 |
6.0 |
<0.0114 |
29 |
16.5 |
5.9 |
<0.0114 |
30 |
16.5 |
6.0 |
<0.0114 |
37 |
16.5 |
6.0 |
<0.0114 |
38 |
16.5 |
6.0 |
<0.0114 |
39 |
16.5 |
6.0 |
<0.0114 |
40 |
16.5 |
6.1 |
<0.0114 |
41 |
16.5 |
6.0 |
<0.0114 |
According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than ± 30 % without any raising or descending tendency. The content of test item in every fraction is below the detection limit.
Evaluation of all fractions. The water solubility was found tobe: <0.0114 mg/L.
Column 2:
Rotation period of the fraction collector: 45 min per fraction
Duration of sampling: about 67.5h (90fractions)
Table column elution method, column 2 (approx. 20.0 mL/h)
Fraction no |
V / mL |
pH |
Water solubility /mg/L |
27 |
16.0 |
6.2 |
<0.0114 |
28 |
16.0 |
6.7 |
<0.0114 |
29 |
16.0 |
6.4 |
<0.0114 |
30 |
16.0 |
6.3 |
<0.0114 |
31 |
16.0 |
6.2 |
<0.0114 |
49 |
16.0 |
5.8 |
0.014 |
50 |
16.0 |
6.2 |
0.015 |
51 |
16.0 |
5.9 |
0.012 |
52 |
16.0 |
6.2 |
0.012 |
53 |
16.0 |
6.2 |
0.012 |
80 |
15.5 |
6.2 |
<0.0114 |
81 |
15.5 |
6.2 |
<0.0114 |
82 |
15.5 |
5.8 |
<0.0114 |
83 |
15.5 |
6.3 |
<0.0114 |
84 |
15.0 |
6.3 |
<0.0114 |
According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than ± 30 % without any raising or descending tendency. The difference over 5 fractions (3.75 hours) was approximately 1 % (no. 80-84). Due to this fact the run was stopped.
Evaluation of all fractions. The water solubility was found tobe: <0.0114 mg/L.
Table Coating check
|
Amount of test item used for coating /mg |
Measured concentration of test item in eluate /mg/L |
Amount of test item eluated /mg |
Column 12.5 mL/h |
26.3 |
2.48 |
24.8 |
Column 25.0 mL/h |
26.3 |
2.50 |
25.0 |
The coating check was successful. Enough test item remained on the columns. The water solubility cs of the test item was below the quantification limit of <0.0114 mg/L (mean value of the columns) in both columns.
Description of key information
The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method. It was found to be cs <0.0114 mg/L.
Key value for chemical safety assessment
Additional information
The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 14 mg/L. The column elution method showed a solubility: cs <0.0114 mg/L.
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