Registration Dossier
Registration Dossier
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EC number: 485-320-2 | CAS number: 221667-31-8
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- HESSISCHES MINISTERIUM FÜR UMWELT, LANDWIRTSCHAFT UND FORSTEN, Wiesbaden, Germany
- Type of method:
- column elution method
- Remarks:
- column elution method at pH 4 flask method at pH 7 and pH 9
- Water solubility:
- 3.4 mg/L
- Temp.:
- 20 °C
- pH:
- 4
- Remarks on result:
- other: buffer pH 4; 4 pH measured; conducted with column elution method
- Water solubility:
- 12.5 mg/L
- Temp.:
- 20 °C
- pH:
- 5.1
- Remarks on result:
- other: bidest water; pH 5.1 measured ; conducted with flask method
- Water solubility:
- 1 090 mg/L
- Temp.:
- 20 °C
- pH:
- 6.9
- Remarks on result:
- other: buffer pH 7; pH 6.9 measured; conducted with flask method
- Water solubility:
- 26 100 mg/L
- Temp.:
- 20 °C
- pH:
- 8.1
- Remarks on result:
- other: buffer pH 9; pH 8.1 measured; conducted with flask method
Reference
Result of Pretest in Water according to the Flask Method
measuring concentrations: experiment 1: 7.92 mg/L, measured pH 5.5
Resuts of Pretests in Buffer at pH 4 (0.05 mol/L), pH 7 (0.05 mol/L) and pH 9 (0.05 mol/L) according to the Flask Method
measuring concentrations:
experiment pH 4: 2.74 mg/L, measured pH 4.0
experiment pH 7: 0.99 g/L, measured pH 6.9
experiment pH 9: 6.76 g/L, measured pH 7.6
Because of the low buffer capacity of the used buffer (0.05 mol/L), the concentration of the pH 9 is increased for the main experiments at pH 9 (0.3 mol/L).
Column-Elution Method - Experiment at pH 4
Individual Results
The coating check was successful. According to the guideline the data of
the fractions 1 to 5 were not taken into account for the following
evaluation. The following values for the solubility in water were
calculated from the fractions 6 to 40 for run 1 and 6 to 40 for run 2.
Result run 1: Evaluation of the fractions 6 to 40. The solubility varies
between 2.4086 and 3.9282 mg/L. Average solubility: 3.1655 mg/L (RSD:
12.5%).
Result run 2: Evaluation of the fractions 6 to 40. The solubility varies
between 3.5325 and 4.3559 mg/L. Average solubility: 3.6989 mg/L (RSD:
6.6%).
The other fractions were not evaluated.
Final Result
The solubility cs of the test item AE 0001789 at a
temperature of 20 °C was determined as follows (average of run 1 and run
2):
cs = 3.4322 mg/L
SD = 0.3772 mg/L
RSD =11.0 %
Solubility in buffer pH 4 of the test item at a temperature of 20 °C: cs
= 3.4 mg/L
Experiments at pH 7 (buffer 0.05 mol/L)
Average (experiments 1 to 3): 1.09 g/L
Standard deviation: 0.03 g/L
Relative standard deviation: 2.6 %
Experiments at pH 9 (buffer 0.3 mol/L)
Average (experiments 1 to 3): 26.1 g/L
Standard deviation: 0.81 g/L
Relative standard deviation: 3.1 %
Experiments in bidest water
Average (experiments 1 to 3): 12.5 mg/L
Standard deviation: 2.1 mg/L
Relative standard deviation: 16.8 %
Final Results
| Solubility in | pHmeasured2)3) | Cs Solubility of AE 0001789 at 20 °C | SD | RSD% |
| buffer pH 4 | 4.0 | 3.4 mg/L column elution method | 0.38 mg/L | 11.0 |
| buffer pH 7 | 6.9 | 1.09 g/L HPLC- method | 0.03 g/L | 2.6 |
| buffer pH 91) | 8.1 | 26.1 g/L HPLC- method | 0.81 g/L | 3.1 |
| bidest water | 5.1 | 12.5 mg/L HPLC- method | 2.1 mg/L | 16.8 |
1)A buffer with a concentration of 0.3 mol/l is not sufficient. A further increase of the buffer
concentration did not result in the desired pH-vaiue.
2)Mean of experiments 1 to 3.
3)Buffer pH 4 - Mean of experiments 6 to 40.
Description of key information
3.4 mg/L at 20 °C (pH 4)
12.5 mg/L at 20 °C (bidest. water; pH 5.1)
1090 mg/L at 20 °C (pH 6.9)
26100 mg/L at 20 °C (pH 8.1)
(OECD 105, column elution method at buffer pH 4, flask method at buffer pH 7, pH 9 and at bidest. water)
Key value for chemical safety assessment
- Water solubility:
- 12.5 mg/L
- at the temperature of:
- 20 °C
Additional information
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