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EC number: 201-335-7 | CAS number: 81-23-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 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
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
- Test material form:
- solid: crystalline
- Specific details on test material used for the study:
- Batch number: 2016110462
Study design
- Analytical method:
- high-performance liquid chromatography
- photometric method
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 1.64
- Temp.:
- 22 °C
- pH:
- 5.7
Any other information on results incl. tables
Results
Note. Data in the tables are rounded values taken from Excel spreadsheets which will be archived together with the raw data. The use of Excel spreadsheets for calculations produces more accurate endpoints. These endpoints may slightly differ from the values derived by replacing the rounded values in the formula given in the methods section.
The sentence “warning Chromatogram has been subjected to data manipulation” reported on chromatograms, is due to the conversion applied to the original file in order to obtain a format readable by Chrom-Card, software used to reprocess chromatograms generated from the different instruments.
The reference substance solutions and the test item solution were injected in duplicate.
Because the retention time of the test item under examination is in the range of the reference substances retention time, thePow value could be calculated by the linear regression analysis performed using the least squares method.
Table9 Partition Coefficient (n-octanol/water):
calculation of thePow value for the test item
Linear calibration curve parameters | Parameterm (slope) | Parameterq (intercept) | ParameterR2 (correlation) |
2.999 | 3.075 | 0.95921 | |
Test item | tr Mean(min) | k’ | log k’ |
3.6 | 0.331 | -0.4795 | |
logPow | 1.64 | ||
Pow | 43.32 | ||
Applicant's summary and conclusion
- Conclusions:
- Partition Coefficient (n-octanol/water) of the substance is (log Pow) 1.64.
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