Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- October 4, 2007-January 22, 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study has been performed according to OECD and EC guidelines and according to GLP principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
- Details on test material:
- - Physical state: Blue solid lumps
- Stability under test conditions: Stable
- Storage condition of test material: at room temperature in the dark
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 22 °C
- pH:
- 7
- Details on results:
- In the chromatogram of the test substance solution no test substance peak was observed during isocratic elution with 75/25 (v/v) methanol/water. Yet, one test substance peak was observed at 16.2 minutes which is during the column rinse, i.e. under gradient conditions. Under isocratic conditions the retention time of 2,4-DDT (log Pow = 6.5) was 0.50 minutes. Hence, it was concluded that the log Pow of test substance was > 6.5 (Pow > 3.2 x 10^6).
Impurities with a peak area percentage of > 1% of the total peak area were not observed.
Any other information on results incl. tables
Calculation of the Pow
The calculation of the log Pow value of a modified structure (i.e. the Cu2+ was substituted by a carbon atom and the C15 chains were shortened to C7) by aid of the Rekker-calculation method resulted in a theoretical log Pow value of 33.72.
Calculation of the pKa
No pKa values were calculated for acidic and basic groups in the modified molecular structure of the test substance in the logarithm range of 1 – 14.
Applicant's summary and conclusion
- Conclusions:
- The logPow value of the test substance is > 6.5
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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