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EC number: 605-404-6 | CAS number: 16535-55-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (2,4-dioxo-1,3-benzoxazin-7-yl) ethyl carbonate
- EC Number:
- 605-404-6
- Cas Number:
- 16535-55-0
- Molecular formula:
- C11 H9 N O6
- IUPAC Name:
- (2,4-dioxo-1,3-benzoxazin-7-yl) ethyl carbonate
- Test material form:
- solid: particulate/powder
- Details on test material:
- Off-white crystalline powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 1.3
- Temp.:
- 20.1 °C
- pH:
- 2
- Type:
- log Pow
- Partition coefficient:
- 1.1
- Temp.:
- 20.1 °C
- pH:
- 7.1
- Details on results:
- pH 2
The analyzed concentration of the stock solution was 0.607 g/L. Based on this the nominal quantity of the test item in the test samples was 1.21 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.
No test item was detected in the pretreated samples from the blank mixture. The pH of the blank samples was pH 2.1 and 2.2.
pH 7
The analyzed concentration of the stock solution was 0.434 g/L. Based on this the nominal quantity of the test item in the test samples was 0.869 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.
No test item was detected in the pretreated samples from the blank mixture. The pH of the blank samples was pH 7.1.
Applicant's summary and conclusion
- Conclusions:
- The shake flask method at pH 2 and pH 7 was applied for the determination of the partition coefficient (Pow) of CH02672.
pH 2: The Pow value of the test item was 2.0 * 10^1. It corresponds with a log Pow value of 1.3.
pH 7: The Pow value of the test item was 1.4 * 10^1. It corresponds with a log Pow value of 1.1.
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