Registration Dossier
Registration Dossier
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EC number: 269-246-6 | CAS number: 68201-95-6
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:
- February from 17th to 29th, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- Adopted 27 July 1995
- Deviations:
- yes
- Remarks:
- not impacting the test results
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- yes
- Remarks:
- not impacting the test results
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -2.09 - -1.87
- Temp.:
- 23 °C
- pH:
- 6.5
- Conclusions:
- logPow -1.98 ± 0.11 at 23 °C and pH 6.5
- Executive summary:
The partition coefficient of the test substance was determined. Based on the results of the preliminary estimation of the partition coefficient-by a calculation method, the shake-flask method was used for the main experiment.
The procedure was performed according to Method A.8. and OECD Test Guideline 107.
Estimation of Partition coefficient (log P) of the test substance determined by shake-flask method was -1.98 ± 0.11 at 23 °C and pH 6.5
Conclusion
logPow -1.98 ± 0.11 at 23 °C and pH 6.5
Reference
| Amount of test item in Stock solution | Ration of w : o | Water phase | n-octanol phase | Pow | log Pow | ||||
| c (mg/l) | Average (mg/l) | (ml/ml) | pH (23 °C) | c (mg/l) | Average (mg/l) | c (mg/l) | Average (mg/l) | ||
| 94.40 | 94.32 | 30 : 30 | 6.6 | 93.21 | 93.23 | 1.110 | 1.082 | 0.0116 | -1.935 |
| 93.26 | 1.054 | ||||||||
| 60 : 30 | 6.6 | 93.34 | 93.29 | 0.980 | 1.030 | 0.0110 | -1.957 | ||
| 94.23 | 93.24 | 1.080 | |||||||
| 30 : 60 | 6.6 | 93.14 | 93.22 | 1.178 | 1.099 | 0.0118 | -1.928 | ||
| 93.30 | 1.019 | ||||||||
| 88.57 | 88.55 | 30 : 30 | 6.6 | 87.73 | 87.72 | 0.818 | 0.830 | 0.0095 | -2.024 |
| 87.71 | 0.841 | ||||||||
| 60 : 30 | 6.6 | 87.62 | 87.59 | 0.931 | 0.966 | 0.0110 | -1.957 | ||
| 88.53 | 87.55 | 1.001 | |||||||
| 30 : 60 | 6.6 | 87.78 | 87.79 | 0.767 | 0.760 | 0.0087 | -2.063 | ||
| 87.80 | 0.753 | ||||||||
| Average | -1.977 | ||||||||
| SD | 0.054 | ||||||||
| RDS % | 2.718 | ||||||||
Description of key information
logPow -1.98 ± 0.11 at 23 °C and pH 6.5
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.98
- at the temperature of:
- 23 °C
Additional information
Shake-flask method - OECD 107
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