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EC number: 201-004-7 | CAS number: 77-09-8
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:
- from 2010-01-26 to 2010-05-26
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- column elution method
- Key result
- Water solubility:
- 3.36 mg/L
- Temp.:
- 20 °C
- pH:
- >= 5.8 - <= 6.1
- Conclusions:
- The water solubility of the test item at a temperature of 20 °C was determined to 3.36 mg/L.
- Executive summary:
A study was conducted according to Regulation EC No. 440/2008, method A.6. and OECD Guideline 105 (1995). In the preliminary test, the water solubility of the test item was determined to be < 9.7 mg/L. Therefore, the column elution method was used to determine the water solubility. The water solubility of the test item at a temperature of 20 °C was determined to 3.36 mg/L in two independent measurements.
Reference
Column 1
Fraction no. |
V in mL |
pH |
Aliquot of the fractions in mL |
End volume in mL |
Measured concentration in mg/L |
Water solubility in mg/L |
6 |
16.0 |
6.0 |
0.25 |
1 |
0.838 |
3.4 |
7 |
16.0 |
6.1 |
0.25 |
1 |
0.841 |
3.4 |
8 |
16.0 |
6.1 |
0.25 |
1 |
0.848 |
3.4 |
9 |
16.0 |
6.0 |
0.25 |
1 |
0.850 |
3.4 |
10 |
16.0 |
6.0 |
0.25 |
1 |
0.846 |
3.4 |
Column 2
Fraction no. |
V in mL |
pH |
Aliquot of the fractions in mL |
End volume in mL |
Measured concentration in mg/L |
Water solubility in mg/L |
19 |
21.3 |
6.0 |
0.25 |
1 |
0.826 |
3.3 |
20 |
21.3 |
5.9 |
0.25 |
1 |
0.835 |
3.3 |
21 |
21.3 |
5.9 |
0.25 |
1 |
0.839 |
3.4 |
22 |
21.3 |
5.9 |
0.25 |
1 |
0.845 |
3.4 |
23 |
21.3 |
6.0 |
0.25 |
1 |
0.843 |
3.4 |
Column 3 (blank)
Fraction no. |
V in mL |
pH |
Aliquot of the fractions in mL |
End volume in mL |
Measured concentration in mg/L |
Water solubility in mg/L |
19 |
15.5 |
5.9 |
0.25 |
1 |
0.0 |
0 |
20 |
15.5 |
6.0 |
0.25 |
1 |
0.0 |
0 |
21 |
15.5 |
5.9 |
0.25 |
1 |
0.0 |
0 |
22 |
15.5 |
5.9 |
0.25 |
1 |
0.0 |
0 |
23 |
15.5 |
5.8 |
0.25 |
1 |
0.0 |
0 |
The test item is used as an acid or base indicator. In contact with acid it will turn colourless (uncharged) and with base (double charged), it will turn into a violet color. Below a pH-value of about 7.5 the test item molecule exists in its uncharged form. This uncharged form is also present in the experiments of the partition coefficient as the pH value of the mobile phase is around 5.9 to 6.1.
The water solubility of the test item at a temperature of 20 °C was determined to 3.36 mg/L.
Description of key information
The water solubility of the test item at a temperature of 20 °C was determined to 3.36 mg/L (reference 4.8-1).
Key value for chemical safety assessment
- Water solubility:
- 3.36 mg/L
- at the temperature of:
- 20 °C
Additional information
A study was conducted according to Regulation EC No. 440/2008, method A.6. and OECD Guideline 105 (1995). In the preliminary test, the water solubility of the test item was determined to be < 9.7 mg/L. Therefore, the column elution method was used to determine the water solubility. The water solubility of the test item at a temperature of 20 °C was determined to 3.36 mg/L in two independent measurements.
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