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EC number: 205-363-0 | CAS number: 139-43-5
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:
- 13 Dec 2017 to 19 Feb 2018
- 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:
- 23 November 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- other: 75/25 Methanol/Water
- Specific details on test material used for the study:
- - Appearance: Viscous amber liquid (determined by Charles River Den Bosch)
- Purity/Composition: >85%
- Test item storage: At room temperature
- Additional information
- Test Facility test item number: 209080/A
- Purity/Composition correction factor: No correction factor required
- Test item handling: No specific handling conditions required
- Molecular structure: Not indicated
- Molecular formula: C63H116O12
- Molecular weight: 1065.6 - Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- > 16 000 000
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- > 7.2
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- HPLC Method
UPLC-UV chromatograms of the test item solution and corresponding blank are shown in Figure 4 and Figure 5, respectively. In the chromatogram of the test item solution, one peak with a retention time of 37.2 minutes was observed. Under the same analytical conditions, the retention time of 4,4’-DDT (log Pow = 6.5) and of benzo[ghi]perylene (log Pow = 7.2) was much shorter (see Table 7). It was concluded that the log Pow of test item was > 7.2 (Pow > 1.6 x 10^7). - Conclusions:
- The methanol-water partition coefficient of the test substance was determined to be >7.2 Log Pow under the conditions of the test.
- Executive summary:
In this guideline (OECD 117) study, conducted with GLP certification, the methanol-water partition coefficient was found to be 7.2.
Reference
Table 7: Pow of the Test Item
| Substance | Retention time (min) | Log Pow | Pow | ||
| tr.1 | tr.2 | mean | |||
| 4,4'-DDT | 11.328 | 11.439 | 6.5 | ||
| Benzo[ghi]perylene | 17.841 | 18.408 | 7.2 | ||
| Test item - peak 4 | 37.212 | 37.212 | 37.212 | >7.2 | >1.6x10^7 |
Description of key information
Study conducted to recognised testing guidelines [with GLP certification].
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.2
- at the temperature of:
- 35 °C
Additional information
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