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EC number: 276-337-4 | CAS number: 72102-30-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 19 FEB 2018 to 17 SEP 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Fatty acids, vegetable-oil, Me esters, sulfurized
- EC Number:
- 276-337-4
- EC Name:
- Fatty acids, vegetable-oil, Me esters, sulfurized
- Cas Number:
- 72102-30-8
- IUPAC Name:
- Fatty Acids, vegetable-oil, Me-Esters, sulfurized
- Test material form:
- liquid
- Details on test material:
- - Density: 0.95 g/mL
- Batch no.: 71012767
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 25 °C
- pH:
- ca. 6
- Details on results:
- The chromatogram of the test item showed one test item peak, which eluted after change of the mobile phase to 100% methanol after 45 min. (retention time of DDT as reference with the highest log POW 28.5 min.).
Because the test item peak showed a retention time higher than DDT (reference item with the highest log POW: 6.5), the log POW of test item Fatty Acids, vegetable-oil, Me-Esters, sulfurized is not calculable and is stated as > 6.5.
DISCUSSION
The correlation log k/Log POW is acceptable: the coefficient of determination r2 was calculated with 0.9952. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test item Fatty Acids, vegetable-oil, Me- Esters, sulfurized.
The determination shows one test item peak, which eluted after change of the mobile phase to 100% methanol after 45 min. (retention time of DDT as reference with the highest log POW 28.5 min.). The retention time of the test item peak was 49.873 ± 0.006 min. The measurements were sufficient precise therefore.
Because the test item peak showed a retention time higher than DDT (reference item with the highest log POW: 6.5) and eluted in the not isocratic part of the HPLC program, the log POW of the test item is not calculable and is stated as > 6.5.
No observations were made which might cause doubts concerning the validity of the study Outcome.
Applicant's summary and conclusion
- Conclusions:
- The determination showed one test item peak. The retention time of the test item Peak was 49.873 ± 0.006 min. The measurements were sufficient precise therefore.
Because the test item peak showed a retention time higher than DDT (reference item with the highest log POW: 6.5) and eluted in the not isocratic part of the HPLC program, the log POW of the test item is not calculable and is stated as > 6.5.
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