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EC number: 277-531-1 | CAS number: 73545-11-6
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:
- 22 Aug 2019 - 06 Sept 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- adopted 27. Jul. 1995: “Water Solubility “
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- adopted 24 January 2014.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: sponsor / 1702-18-01/O
- Expiration date of the lot/batch: 25. Mar. 2021
- Purity test date: 26. Mar. 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: The test item was stored in a closed flask at room temperature (20 ± 5 °C), protected from light.
- Key result
- Water solubility:
- 1.894 mg/L
- Conc. based on:
- element (total fraction)
- Remarks:
- based on TOC
- Loading of aqueous phase:
- 101 mg/L
- Incubation duration:
- 3 d
- Temp.:
- 20.1 °C
- pH:
- 6.53
- Remarks on result:
- other: solubility was found to be dependent on the nominal loading rate
- Key result
- Water solubility:
- 13.623 mg/L
- Conc. based on:
- element (total fraction)
- Remarks:
- based on TOC
- Loading of aqueous phase:
- 1 002 mg/L
- Incubation duration:
- 3 d
- Temp.:
- 20.3 °C
- pH:
- 6.53
- Remarks on result:
- other: solubility was found to be dependent on the nominal loading rate
- Details on results:
- The data uses for the calculation of TOC was acquired during equilibration time. The pH was determined as 5-6 using pH paper before measurement of the DOC concentration and was additionally determined using a calibrated pH meter. The carbon content of the test item 79.56 % was used in the calculation of the test item concentration from the measured DOC concentration according to the following equation: Ctest item [mg/L] = DOC [mg/L] * 100%/carbon content [%].
After the analysis of the sample of day 3, the plateau was considered as reached. - Conclusions:
- The solubility range for a nominal load of 101 – 1002 mg/L was determined as 1.894 – 13.623 mg/L at 19.9 – 20.3 °C, corresponding to a dissolved part of the test item of 1.56 ± 0.19 % with a relative standard deviation of 12.4 %. No dependency of the pH value on the amount of the test item was perceived. The mean pH value was 6.53 ± 0.30 with a relative standard deviation of 0.05 %.
Reference
Measurement of DOC (day 3)
Flask No |
Temperature [°C] |
pH1 |
Measured areas |
Conc. DOC Mean [mg/L] |
Conc. Test Item [mg/L] |
2 |
20.1 |
6.20 |
1823 |
1.507 |
1.894 |
1780 |
|||||
1787 |
|||||
3 |
20.1 |
6.35 |
4262 |
3.704 |
4.655 |
4247 |
|||||
4266 |
|||||
4 |
20.2 |
6.90 |
4145 |
7.2422 |
9.103 |
4165 |
|||||
4188 |
|||||
5 |
20.0 |
6.80 |
6047 |
10.5862 |
13.306 |
6065 |
|||||
6006 |
|||||
6 |
20.3 |
6.55 |
6214 |
10.8392 |
13.623 |
6178 |
|||||
6150 |
|||||
blank |
20.0 |
6.14 |
117 |
0.113 |
- |
262 |
|||||
323 |
1 measured using a calibrated pH meter
2 dilution factor 2 taken into account
Results
The measurements on day 3 (flasks 1A – 1C and 2 – 6) were included in the calculation of the solubility of the test item in water.
Flask Number |
Nominal Conc Test Item [mg/L] |
Measured conc test item [mg/L] |
Dissolved part [%] |
11 |
501 |
6.877 |
1.37 |
2 |
101 |
1.894 |
1.88 |
3 |
300 |
4.655 |
1.55 |
4 |
600 |
9.103 |
1.52 |
5 |
800 |
13.306 |
1.66 |
6 |
1002 |
13.623 |
1.36 |
1mean value of flasks 1A-1C
A dependency of the solubility on the amount of the test item (nominal load) was perceived in the main test. The solubility range for a nominal load of 101 – 1002 mg/L was determined as 1.894 – 13.623 mg/L, corresponding to a dissolved part of the test item of 1.56 ± 0.19 % with a relative standard deviation of 12.4 %. No dependency of the pH value on the amount of the test item was perceived. The mean pH value was 6.53 ± 0.30 with a relative standard deviation of 0.05 %.
Description of key information
Key value for chemical safety assessment
Additional information
The solubility range for a nominal load of 101 – 1002 mg/L was determined as 1.894 – 13.623 mg/L at 19.9 – 20.3 °C, corresponding to a dissolved part of the test item of 1.56 ± 0.19 % with a relative standard deviation of 12.4 %. No dependency of the pH value on the amount of the test item was perceived. The mean pH value was 6.53 ± 0.30 with a relative standard deviation of 0.05 %.
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