Registration Dossier
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EC number: 947-752-4 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-03-12 - 2018-03-16
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- [8,20-dihydro-8,20-diphenyl-5,24:12,17-diimino-7,10:22,19-dinitrilodibenz[f,p][1,2,4,9,11,12,14,19]octaazacycloicosinato(2-)-N25,N26,N27,N28]iron
- EC Number:
- 256-526-8
- EC Name:
- [8,20-dihydro-8,20-diphenyl-5,24:12,17-diimino-7,10:22,19-dinitrilodibenz[f,p][1,2,4,9,11,12,14,19]octaazacycloicosinato(2-)-N25,N26,N27,N28]iron
- Cas Number:
- 50293-39-5
- Molecular formula:
- C32H18FeN12
- IUPAC Name:
- [8,20-dihydro-8,20-diphenyl-5,24:12,17-diimino-7,10:22,19-dinitrilodibenz[f,p][1,2,4,9,11,12,14,19]octaazacycloicosinato(2-)-N25,N26,N27,N28]iron
- Test material form:
- solid
- Remarks:
- dark brown
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: sponsor
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Refrigerated (5 ± 3°C)
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.88
- Temp.:
- 23 °C
- pH:
- >= 3 - <= 3.2
- Type:
- Pow
- Partition coefficient:
- 753.7
- Temp.:
- 23 °C
- pH:
- >= 3 - <= 3.2
Applicant's summary and conclusion
- Conclusions:
- The study was performed according to OECD TG 107 under GLP on the substance to be registered itself, the test procedure is well documented and therefore reliability of Klimisch 1 has been assigned. OECD 107 states that the six determined log Pow values should fall within a range of ± 0.3 units. This criterion is fulfilled, and the partition coefficient can be reported as total average over six independent determinations:
Pow = 753.7 (standard deviation 178.3)
log Pow = 2.88
The pH value of the aqueous buffer phases varied between 3.0 and 3.2. The partition coefficient was determined at 23 °C. - Executive summary:
The partition coefficient of the test item was determined according to OECD Guideline for the testing of chemicals 107 under GLP, shake flask method.
Results:
Pow = 753.7 (standard deviation 178.3)
logPow = 2.88
The pH value of the aqueous buffer phases varied between 3.0 and 3.2. The partition coefficient was determined at 23 °C.
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