Registration Dossier
Registration Dossier
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EC number: 682-131-9 | CAS number: 1190427-50-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- The test substance is not soluble in water. Therefore the partition coefficient n-octanol/water was calculated by EPI Suite 4.11 (KOWWIN v. 1.68).
Data source
Reference
- Reference Type:
- other:
- Title:
- EpiSuite calculations for partition coefficient
- Author:
- Evonik Resource Efficiency GmbH
- Year:
- 2 016
- Bibliographic source:
- Evonik Resource Efficiency GmbH, RE-ES-PS-HRA, Calculation
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: EPI Suite calculation
- Version / remarks:
- EPI Suite 4.11, KOWWIN v1.68
- Principles of method if other than guideline:
- Method: other, calculated with EPI Suite Version 4.11
- GLP compliance:
- no
- Type of method:
- other: calculation
- Remarks:
- EPI Suite Version 4.11
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- [1,3-bis(2,4,6-trimethylphenyl)-4,5-dimethylimidazol-2-ylidene](2-thienylmethylidene)(tricyclohexylphosphine)ruthenium(II)dichloride
- Cas Number:
- 1190427-50-9
- Molecular formula:
- C46H65Cl2N2PRuS
- IUPAC Name:
- [1,3-bis(2,4,6-trimethylphenyl)-4,5-dimethylimidazol-2-ylidene](2-thienylmethylidene)(tricyclohexylphosphine)ruthenium(II)dichloride
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 17
- Temp.:
- 25 °C
- Remarks on result:
- not measured/tested
Applicant's summary and conclusion
- Conclusions:
- The very high value of the calculated log Pow >17 shows the insolubility of the test substance in water (calculated water solubility at 25 deg C (mg/L): 5.661e-015.)
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