Registration Dossier
Registration Dossier
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EC number: 429-380-1 | CAS number: 133336-92-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 28 December 1993 to 29 December 1993
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- 1992
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 1989
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.8
- Temp.:
- 20 °C
- Remarks on result:
- other: Non-buffered mobile phase
- Details on results:
- In both HPLC-UV (268 nm) chromatograms of KY-AF, one large (98.2% area) and one small test substance peak (1.5% area) were observed. It was assumed that the large peak derived from the main constituent and the small peak derived from an impurity in the substance.
- Conclusions:
- The log Pow of the substance was determined to be 3.8.
- Executive summary:
The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8 and OECD 117. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection 268 nm for the substance and 210 nm for the reference substances and unretained component. Duplicate measurements were performed. Both chromatograms of the test substance solution (5.39 mg/L) showed a large substance peak and a small impurity peak. The log Pow value for the substance was 3.8. The log Pow for the impurity was 5.0.
Reference
Table: Results Partition coefficient n-octanol-water (HPLC method)
| Substance | tr (mean) | k' | log k' | log Pow | Pow |
| ethylmethylketone | 1.33 | 0.209 | -0.680 | 0.3 | |
| nitrobenzene | 1.95 | 0.773 | -0.112 | 1.9 | |
| bromobenzene | 3.55 | 2.223 | 0.347 | 3.0 | |
| 1,4 -dichlorobenzene | 4.46 | 3.050 | 0.484 | 3.4 | |
| 1,2,4 -trichlorobenzene | 7.51 | 5.829 | 0.766 | 4.2 | |
| triphenylamine | 16.33 | 13.841 | 1.141 | 5.7 | |
| Peak of main constituent | 5.17 | 3.695 | 0.568 | 3.8 | 6.14E03 |
| Impurity peak | 11.67 | 9.609 | 0.983 | 5.0 | 9.77E04 |
Description of key information
Log Pow: 3.8 (EC A.8, OECD 117: HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.8
- at the temperature of:
- 20 °C
Additional information
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