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EC number: 228-543-0 | CAS number: 6291-65-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 November 2017 - 28 November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Test method according to EEC A.8 and OECD 107. GLP study.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.83
- Temp.:
- 20 °C
- pH:
- >= 6.16 - <= 6.34
- Details on results:
- The partition coefficient 1-octanol/water (log Kow) at 20.0°C of tested material was found to be -1.83 ± 0.10 (pH 6.16 - 6.34).
- Conclusions:
- The experimentally obtained value of log Kow of the tested material at 20.0 °C is -1.83.
- Executive summary:
The partition coefficient 1-octanol/water (log Kow) of the test item was determined according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was determined by a validated HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the tested material was found to be -1.83 ± 0.10 (pH 6.16 - 6.34).
Reference
Table 1. Results of measurements at 20 ºC:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Temperature,°C |
19.7 |
20.0 |
19.6 |
|||
Volume of added stock solution, mL |
1 |
1 |
1 |
1 |
1 |
1 |
Volume of water, mL |
4 |
4 |
5.7 |
5.7 |
2.3 |
2.3 |
Volume of 1-octanol, mL |
5 |
5 |
3.3 |
3.3 |
6.7 |
6.7 |
Volume 1-octanol phase/ volume of water phase |
1:1 |
1:2 |
2:1 |
|||
Dipotassium methanedisulphonate (ROPOL G 14) concentration in water phase, g/L |
0.8239 |
0.8859 |
0.6751 |
0.7107 |
1.4445 |
1.4475 |
Dipotassium methanedisulphonate (ROPOL G 14) concentration in 1-octanol phase, g/kg |
0.0196 |
0.0178 |
0.0132 |
0.0136 |
0.0221 |
0.0187 |
Dipotassium methanedisulphonate (ROPOL G 14) concentration in 1-octanol phase, g/L |
0.0162 |
0.0147 |
0.0109 |
0.0112 |
0.0182 |
0.0154 |
Mass of Dipotassium methanedisulphonate (ROPOL G 14) in water phase x103, g |
4.1195 |
4.4295 |
4.5232 |
4.7617 |
4.7669 |
4.7768 |
Mass of Dipotassium methanedisulphonate (ROPOL G 14) in 1-octanol phase x103, g |
0.0810 |
0.0735 |
0.0360 |
0.0370 |
0.1219 |
0.1032 |
Mass of Dipotassium methanedisulphonate (ROPOL G 14) in both phases x103, g |
4.2005 |
4.5030 |
4.5592 |
4.7987 |
4.8888 |
4.8800 |
Added mass of Dipotassium methanedisulphonate (ROPOL G 14) x103, g |
4.4393 |
4.4393 |
4.4393 |
4.4393 |
4.4393 |
4.4393 |
Table 2. Calculated values of partition coefficient 1-octanol/water
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Volume 1-octanol phase/volume of water phase |
1:1 |
1:2 |
2:1 |
|||
Pow= C1-octanol/Cwater |
0.0197 |
0.0166 |
0.0161 |
0.0158 |
0.0182 |
0.0154 |
log Pow= log(C1-octanol/Cwater) |
-1.71 |
-1.78 |
-1.79 |
-1.80 |
-1.90 |
-1.97 |
Average log Pow+ standard deviation |
-1.75 ± 0.05 |
-1.80 ± 0.01 |
-1.94 ± 0.05 |
|||
Average log Pow+ standard deviation |
-1.83±0.10 |
|||||
Table 3. Measured pH values:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
pH before test |
5.94 |
5.94 |
5.94 |
5.94 |
5.94 |
5.94 |
pH after test |
6.16 |
6.18 |
6.31 |
6.28 |
6.34 |
6.34 |
Description of key information
Key study. Test method according to OECD 107 / EU Method A.8 (shake flask method), GLP study. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item is -1.83.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.83
- at the temperature of:
- 20 °C
Additional information
Key study: The partition coefficient 1-octanol/water (log Kow) of the test item was determined according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was determined by a validated HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the tested material was found to be -1.83 ± 0.10 (pH 6.16 - 6.35).
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