Registration Dossier
Registration Dossier
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EC number: 813-180-8 | CAS number: 5856-32-6
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:
- Study Initiation Date: 30 Jun 2016 Study Completion Date: 20 Sep 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)
- Version / remarks:
- (adopted 2004)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Swiss Federal Office of Public Health, Bern, Switzerland
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.12
- Temp.:
- 25 °C
- pH:
- 3.5
- Conclusions:
- During this study, the partition coefficient (n-octanol/water) of 10-HSA was determined using the HPLC method. The log Pow-value was found to be 5.12.
- Executive summary:
This study was conducted to determine the partition coefficient (n-octanol/water) of 10-HSA .
From calculation QSAR (EPI Suite, KOWWIN v1.67) a value for the log Powof 6.41 was obtained.Thus, the HPLC method was considered to be appropriate for the test item. Six reference items, recommended by the guideline, which have known log Pow-values in the range of 1.6 to 6.5 were used.
Under the conditions of the study, the partition coefficient (n-octanol/water) of 10-HSA was 5.12.
Reference
Table 1: Retention Times and Capacity Factors of Reference Items
| 1st Run | 2nd Run | 3rd Run | Average | |||||
| Retention Time [min] | Log k' | Retention Time [min] | Log k' | Retention Time [min] | Log k' | Log k' | Log Pow | |
| Formamide (dead time) | 0.693 | 0.693 | 0.687 | |||||
| Reference Items | ||||||||
| Benzonitrile | 1.027 | -0.317 | 1.027 | -0.317 | 1.027 | -0.305 | -0.313 | 1.6 |
| Benzene | 1.26 | -0.087 | 1.26 | -0.087 | 1.26 | -0.079 | -0.084 | 2.1 |
| Toluene | 1.5 | 0.066 | 1.507 | 0.07 | 1.5 | 0.073 | 0.07 | 2.7 |
| Biphenyl | 2.1 | 0.308 | 2.107 | 0.31 | 2.1 | 0.313 | 0.31 | 4 |
| Triphenylamine | 4.693 | 0.761 | 4.7 | 0.762 | 4.7 | 0.767 | 0.763 | 5.7 |
| 4,4-DDT | 6.213 | 0.901 | 6.227 | 0.902 | 6.227 | 0.907 | 0.903 | 6.5 |
Table 2: Results of Log Pow-Values of 10-HSA
| Test Item | Run | Retention Time [min] | Log k' | Log Pow | Mean | Overall Mean |
| Solution 1 | 1st run | 3.433 | 0.602 | 5.131 | 5.12 | 5.12 |
| 2nd run | 3.433 | 0.597 | 5.111 | |||
| Solution 2 | 1st run | 3.44 | 0.598 | 5.116 | 5.12 | |
| 2nd run | 3.44 | 0.598 | 5.116 |
Description of key information
Log Pow is 5.12 at 25 C (OECD 117, HPLC method).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.12
- at the temperature of:
- 25 °C
Additional information
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