Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- From 1996-01-04 to 1996-05-09
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- LYMAN, W.J., REEHL, W.F. and ROSENBLATT, D.H. (1982). Handbook of Chemical Property Estimation Methods. McGraw-Hill.
- GLP compliance:
- yes
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Substance type: Organic
- Physical state: Solid
- Composition of test material, percentage of components: relative proportions components 1, 2 and 3 are 100:60:40 - Type:
- log Pow
- Partition coefficient:
- 12.51
- Remarks on result:
- other: Calculation result for component 1
- Type:
- log Pow
- Partition coefficient:
- 7.06
- Remarks on result:
- other: Calculation result for component 2
- Type:
- log Pow
- Partition coefficient:
- 17.96
- Remarks on result:
- other: Calculation result for component 3
- Conclusions:
- Log10 Kow >6 for the 3 main components (equivalent to Kow >1E+06)
- Executive summary:
Partition coefficient was calculated by the Leo and Hansch procedure.
Log10 Kow were calculated to be >6 for the 3 main components (equivalent to Kow >1E+06)
Reference
Details of the calculation are given in the attached background information section.
Description of key information
Partition coefficient was calculated by the Leo and Hansch procedure.
Log10 Kow were calculated to be >6 for the 3 main components (equivalent to Kow >1E+06)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6
Additional information
No experimental determination was possible due to the lack of a suitable analytical method. It is expected though, from estimations based on chemical structure, that the log 10Kow values of the main components of test item fall outside the scope of the methods normally used (flask shake and HPLC methods are applicable over the ranges of logl0Kow values -2 to 4 and 0 to 6 respectively).
Log10 Kow >6 for the 3 main components (equivalent Kow >1E+06)
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