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EC number: 946-911-5 | CAS number: -
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:
- 26 October to 2 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Swiss Federal Office of Public Health
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 2.15 - <= 2.63
- Temp.:
- 20 °C
- pH:
- 6.4
- Remarks on result:
- other: range of four constituents
- Conclusions:
- A log Pow range of 2.15 to 2.63 at 20 °C and pH 6.4 was determined for the test substance according to OECD 117.
Reference
Results
The test item constituents showed up with four peaks. The log Pow-values of the four constituents were found to be 2.15, 2.28, 2.49 and 2.63. The detailed results are reported in the following table.
Results of Log Pow-Values of the test item
|
|
Retention Time [min] |
Capacity Factor k' |
Log k' |
Log Pow
|
Sample 1 1st run |
Peak 1 |
3.167 |
2.0452 |
0.3107 |
2.155 |
Peak 2 |
3.42 |
2.2885 |
0.3595 |
2.283 |
|
Peak 3 |
3.9 |
2.75 |
0.4393 |
2.493 |
|
Peak 4 |
4.267 |
3.1029 |
0.4918 |
2.631 |
|
Sample 1 2nd run |
Peak 1 |
3.16 |
2.0385 |
0.3093 |
2.151 |
Peak 2 |
3.413 |
2.2817 |
0.3583 |
2.28 |
|
Peak 3 |
3.887 |
2.7375 |
0.4374 |
2.488 |
|
Peak 4 |
4.253 |
3.0894 |
0.4899 |
2.626 |
|
Sample 2 1st run |
Peak 1 |
3.16 |
2.0385 |
0.3093 |
2.151 |
Peak 2 |
3.407 |
2.276 |
0.3572 |
2.277 |
|
Peak 3 |
3.88 |
2.7308 |
0.4363 |
2.485 |
|
Peak 4 |
4.253 |
3.0894 |
0.4899 |
2.626 |
|
Sample 2 2nd run |
Peak 1 |
3.153 |
2.0317 |
0.3079 |
2.148 |
Peak 2 |
3.4 |
2.2692 |
0.3559 |
2.274 |
|
Peak 3 |
3.873 |
2.724 |
0.4352 |
2.482 |
|
Peak 4 |
4.24 |
3.0769 |
0.4881 |
2.621 |
|
Mean Value |
Peak 1 |
|
2.15 ± 0.00 |
||
Peak 2 |
|
2.28 ± 0.00 |
|||
Peak 3 |
|
2.49 ± 0.00 |
|||
Peak 4 |
|
2.63 ± 0.00 |
|||
Conclusions
The partition coefficient (n-octanol/water) log Pow of four constituents of the test item was determined using the HPLC method. The log Pow- values were 2.15, 2.28, 2.49 and 2.63. Thus, > 99 % of test item components have a log Pow in the range of 2.15 to 2.63.
Description of key information
Log Pow range: 2.15 to 2.63 at 20°C, pH 6.4 (OECD 117, HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.63
- at the temperature of:
- 20 °C
Additional information
The test item is composed by four main constituents. The log Pow values were determined to be 2.15, 2.28, 2.49 and 2.63. Thus, > 99 % of test item components have a log Pow in the range of 2.15 to 2.63.
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