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EC number: 811-852-5 | CAS number: 1792219-00-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 5 Feb 2016 - 5 Feb 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
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 - HPLC Method)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-{[1,1'-biphenyl]-4-yl}-N-[2-(9,9-diphenyl-9H-fluoren-4-yl)phenyl]-9,9-dimethyl-9H-fluoren-2-amine
- EC Number:
- 811-852-5
- Cas Number:
- 1792219-00-1
- Molecular formula:
- C58H43N
- IUPAC Name:
- N-{[1,1'-biphenyl]-4-yl}-N-[2-(9,9-diphenyl-9H-fluoren-4-yl)phenyl]-9,9-dimethyl-9H-fluoren-2-amine
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: above the highest log Pow value of calibration substances (4,4'-DDT)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 11.2
- Temp.:
- 25 °C
- Remarks on result:
- other: via extrapolation
Any other information on results incl. tables
Before the experimental procedure, the program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was 16.2. Therefore, according to the guidelines the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC-method.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient n-octanol/water of the test item was determined according to the HPLC method described in the European Commission Regulation (EC) No. 440/2008 and was found to be greater than 6.5.
- Executive summary:
The partition coefficient n-octanol/water was determined in a Guideline conform study according to OECD 117 and EU method A.8.
Before the experimental procedure, the program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was 16.2. Therefore, according to the guidelines the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC-method. The log Pow was determined to be greater than 6.5 (above the highest log Pow value of calibration substances) and calculated to be 11.2 via extrapolation.
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