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EC number: 207-055-1 | CAS number: 429-06-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12 November - 28 November 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 guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- March 04, 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- tetraethylammonium tetrafluoroborate
- Cas Number:
- 429-06-1
- Molecular formula:
- C8H20BF4N
- IUPAC Name:
- tetraethylammonium tetrafluoroborate
- Test material form:
- solid: crystalline
Constituent 1
Study design
- Analytical method:
- other: Liquid chromatographic method with tandem mass spectrometric detection (UPLC-MS/MS)
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- 0
- Temp.:
- 20.2 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- -3.5
- Temp.:
- 20.2 °C
- pH:
- 7
Any other information on results incl. tables
Preliminary test
The content of test item dissolved in the n-octanol sample was 0.0170 g/L.
Shake Flask Method
The analyzed concentration of the stock solution was 0.186 g/L. Based on this the nominal quantity of the test item in the test samples was 0.372 mg. The recoveries were determined according to this value.
The log Pow values were within the criterion range of ± 0.3 log units. The Pow and log Pow of the test item is given as the mean value of all measurements.
Small responses at the retention time of the test item were detected in the chromatograms of the pretreated samples from the blank mixture. The maximum contribution to the samples of the octanol phases and water phases was 1.2% and 0.0023%, respectively. It was considered that it has no significant effect on the results of the test samples. The pH of the blank samples was both pH 7.1.
Applicant's summary and conclusion
- Conclusions:
- The log Pow value of the Tetraethylammonium tetrafluoroborate is -3.5.
- Executive summary:
The shake flask method at pH 7 was applied for the determination of the partition coefficient (Pow) of Tetraethylammonium tetrafluoroborate.
The Pow value of the test item was 0.00032, it corresponds with a log Pow value of -3.5.
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