Registration Dossier
Registration Dossier
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EC number: 242-177-9 | CAS number: 18297-63-7
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:
- 22 Jul to 20 Dec 2019
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Medicines & Healthcare products Regulatory Agency (MHRA)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 2.72
- Temp.:
- 20 °C
- pH:
- 7
Reference
Results
Preliminary Estimate
The log10 Pow was calculated to be: 2.17
Definitive Test
Partition coefficient of sample
The retention time, capacity factor and log10Pow values determined for the sample are shown in the following table:
Peak |
Injection |
Retention time (min) |
Capacity factor (k') |
Log10k' |
Log10Pow |
Mean Log10Pow |
1 |
1 |
2.332 |
0.407 |
-0.390 |
0.712 |
0.712 |
2 |
2.332 |
0.407 |
-0.390 |
0.712 |
||
2 |
1 |
5.070 |
2.06 |
0.314 |
2.73 |
2.72 |
2 |
5.069 |
2.06 |
0.314 |
2.73 |
Overall log10 Pow: 2.72
Overall Partition coefficient: 530
Discussion
The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item.
Although the test item was shown to rapidly hydrolysis in water, it was found that in a mobile phase containing 30% water the test item was stable enough for the period of its retention.
Due to the standards and sample being detected using different detectors, a correction in the retention time was required because detection of an analyte in the two detectors doesn’t occur simultaneously. Therefore, the difference in retention time of the sample between the two detectors (0.052 minutes) was subtracted from the MS retention time of the sample. There wasn’t a peak at 240 nm for the sample at the concentration used. MS detection was used for the sample to confirm a degradation product wasn’t being measured due to the test item being hydrolytically unstable. UV detection of the test item would not have been definitive.
Conclusion
The partition coefficient of the test item has been determined to be 530, log10 Pow 2.72.
Description of key information
Log Kow = 2.72 (OECD 117, HPLC)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.72
- at the temperature of:
- 20 °C
Additional information
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