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EC number: 930-010-9 | CAS number: 461432-25-7
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:
- The study was conducted between 18 June 2014 and 22 August 2014
- 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)
- Type of method:
- column elution method
- Key result
- Water solubility:
- 0.011 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 6.58 - <= 7.02
- Conclusions:
- The water solubility of the test item has been determined to be 1.12 x 10^-5 g/L of solution at 20.0 ± 0.5 °C and is considered insoluble (< 0.1 mg/L).
- Executive summary:
The general physico-chemical properties of BMS-587172-01 have been determined. The results are summarized below:
Water Solubility
1.12 x 10-5 g/L of solution at 20.0 ± 0.5 °C, using the column elution method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
The water solubility of the test item has been determined to be 1.12 x 10^-5 g/L of solution at 20.0 ± 0.5 °C.
Reference
Preliminary test
The preliminary estimate of water solubility was 4.65 x 10-6 g/L at 21.8 °C
Definitive test
The mean peak areas relating to the standard and sample solutions are shown in the following table:
| Solution | Mean Peak Area |
| Standard 1.14 mg/L | 3.6321 x 105 |
| Standard 1.04 mg/L | 3.2815 x 105 |
| System A Sample 1 | 2.2015 x 105 |
| System A Sample 2 | 2.9432 x 105 |
| System B Sample 1 | 2.9292 x 105 |
| System B Sample 2 | 2.8743 x 105 |
| Standard 1.10 mg/L | 3.3469 x 105 |
| Standard 1.06 mg/L | 3.0585 x 105 |
| System A Sample 3 | 2.0879 x 105 |
| System A Sample 4 | 2.1374 x 105 |
| System B Sample 3 | 2.6294 x 105 |
| System B Sample 4 | 2.7624 x 105 |
| Standard 1.02 mg/L | 3.2948 x 105 |
| Standard 1.07 mg/L | 3.0646 x 105 |
| System A Sample 5 | 2.0049 x 105 |
| System B Sample 5 | 2.5179 x 105 |
The concentration (g/L) of test item in the sample solutions is shown in the following table:
| Sample Number | Sampling Time (hour) | Concentration (g/L) | Solution pH | |||
| Determination A | Determination B | Determination A | Determination B | Determination A | Determination B | |
| 1 | 186.5 | 187.5 | 6.94 x 10-6 | 9.23 x 10-6 | 6.72 | 6.58 |
| 2 | 189.5 | 190.5 | 9.27 x 10-6 | 9.06 x 10-6 | 6.89 | 6.88 |
| 3 | 208.75 | 209.75 | 7.06 x 10-6 | 8.90 x 10-6 | 7.01 | 6.95 |
| 4 | 212.75 | 213.75 | 7.23 x 10-6 | 9.35 x 10-6 | 7.03 | 7 |
| 5 | 232.75 | 233.75 | 6.60 x 10-6 | 8.28 x 10-6 | 7.01 | 6.98 |
The overall results are shown in the following table:
| Determination | Mean Concentration (g/L) | Standard Deviation |
| A | 7.42 x 10-6 | 1.06 x 10-6 |
| B | 8.96 x 10-6 | 4.16 x 10 -7 |
| Overall | 8.19 x 10-6 | - |
| Corrected Overall Result | 1.12 x 10 -5 | - |
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0.289 to 5.78 mg/L. This was satisfactory with a correlation coefficient of 1.000 being obtained.
Recovery of analysis of the sample procedure was assessed and proved adequate for the test. At a nominal concentration of 0.01 mg/L, a mean percentage recovery of 73.4% was obtained (range 71.9 to 75.5%, relative standard deviation 2.48%).
The final result has been corrected for recovery of analysis.
Discussion
As the water solubility was determined during the preliminary test to be below 10-2 g/L, the column elution test was performed.
On observation of the sample solutions at each time point, no undissolved test item was observed prior to analysis.
Procedural recoveries did not give ideal accuracy with a mean recovery of 73.4%, however as the recovery method was precise, with a relative standard deviation of 2.48% the recovery procedure was considered acceptable and the final result has been corrected for the recovery of analysis.
Description of key information
The water solubility of the test item has been determined to be 1.12 x 10^-5 g/L of solution at 20.0 ± 0.5 °C.
Key value for chemical safety assessment
- Water solubility:
- 0.011 mg/L
- at the temperature of:
- 20 °C
Additional information
The determination was carried out using the column elution method designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
The test system consists of purified water.
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