Registration Dossier
Registration Dossier
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EC number: 243-494-5 | CAS number: 20062-22-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2,2',4,4',6,6'-hexanitrostilbene
- EC Number:
- 243-494-5
- EC Name:
- 2,2',4,4',6,6'-hexanitrostilbene
- Cas Number:
- 20062-22-0
- Molecular formula:
- C14H6N6O12
- IUPAC Name:
- 1,3,5-trinitro-2-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene
- Test material form:
- solid: crystalline
Constituent 1
- Specific details on test material used for the study:
- Batch no. 18909-1
Composition 100%
Expiry date 27/2/2028
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2
- Temp.:
- 25 °C
- pH:
- 4 - 5
- Remarks on result:
- other: the study is in progress
- Details on results:
- Variations in the retention times of reference items and test item are very small. Therefore,
a stable configuration of the HPLC-column can be assumed.
The correlation log k/log POW is good: the coefficient of determination r2 was calculated with
0.9926. This value was considered as sufficiently high to use the calibration function for the
determination of the log POW of the test item HEXANITROSTILBENE.
The chromatogram of the test item HEXANITROSTILBENE gave one peak with a retention
time of 2.269 min (mean).
Using the correlation log k / log POW, the log POW of the test item HEXANITROSTILBENE
was calculated as 1.971 ± 0.003 (mean ± standard deviation).
The log POW of the test item HEXANITROSTILBENE will be stated as 2.0.
No observations were made which might cause doubts concerning the validity of the study
outcome.
Applicant's summary and conclusion
- Conclusions:
- The log POW of the test item HEXANITROSTILBENE will be stated as 2.0.
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