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EC number: - | CAS number: -
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:
- January from 18 to 19, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- validated anaytical method
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- adopted July 27, 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 0.062
- Temp.:
- 20 °C
- pH:
- 6.9
- Type:
- log Pow
- Partition coefficient:
- -1.21
- Temp.:
- 20 °C
- pH:
- 6.9
- Details on results:
- The nine log Pow values were within a range of ± 0.3 units and thus complied with the guidelines.
- Conclusions:
- Pow: 0.062 ± 0.006 at 20 °C and pH 6.9
log Pow: -1.21 at 20 °C and pH 6.9 - Executive summary:
The purpose of this study was to determine the partition coefficient of test item, according to OECD guideline 107. The Pow and log Pow were determined using the shake flask method. Three parallel tests were carried out. The phases were separated and analysed by HPLC method.
The partition coefficient of test item in n-octanol-water was determined to be 0.062 ± 0.006 (95 % confidence interval) at 20 °C and pH 6.9, which corresponds to log Pow of -1.21.
Conclusion
Pow: 0.062 ± 0.006 at 20 °C and pH 6.9
log Pow: -1.21 at 20 °C and pH 6.9
Reference
| Ratio of solvents (n-octanol : water) | partition coefficient | log partition coefficient | mean pH conditions | ||
| Pow | Mean | log Pow | mean | ||
| 10:01 | 0.075 | 0.072 | -1.13 | -1.14 | 7.0 |
| 0.07 | -1.16 | ||||
| 0.073 | -1.14 | ||||
| 05:01 | 0.059 | 0.061 | -1.23 | -1.22 | 6.6 |
| 0.062 | -1.20 | ||||
| 0.061 | -1.22 | ||||
| 20:01 | 0.054 | 0.054 | -1.27 | -1.27 | 7.1 |
| 0.055 | -1.26 | ||||
| 0.053 | -1.27 | ||||
| mean all ± 95 % confidence interval | 0.062 ± 0.006 | - | -1.21 | - | 6.9 |
Measured concentrations
| Ratio of solvents (n-octanol : water) | measured concentration in (µg/ml) | pH | |
| n-octanol phase | aqueous phase | ||
| 10:1 | 3.89 | 52.2 | 6.99 |
| 3.77 | 53.9 | 7.00 | |
| 3.95 | 54.2 | 7.01 | |
| Mean | 3.87 | 53.4 | 7.00 |
| RSD % | 2 | 2 | - |
| Measured quantity of test item (Mo; Mw) | 163 µg | 224 µg | - |
| Total nominal quantity of test item (Ms) | 372 µg | ||
| Total quantity of test item (Mo+Mw) in the two-phase system | 387 µg | ||
| Recovery | 104 % | ||
| 5:1 | 2.15 | 36.8 | 6.55 |
| 2.24 | 35.8 | 6.57 | |
| 2.2 | 36.2 | 6.57 | |
| Mean | 2.19 | 36.3 | 6.56 |
| RSD % | 2 | 1 | - |
| Measured quantity of test item (Mo; Mw) | 85 µg | 279 µg | - |
| Total nominal quantity of test item (Ms) | 372 µg | ||
| Total quantity of test item (Mo+Mw) in the two-phase system | 364 µg | ||
| Recovery | 98 % | ||
| 20:1 | 4.08 | 75.5 | 7.09 |
| 4.3 | 77.8 | 7.11 | |
| 4.14 | 77.8 | 7.11 | |
| Mean | 4.17 | 77.0 | 7.10 |
| RSD % | 3 | 2 | - |
| Measured quantity of test item (Mo; Mw) | 184 µg | 169 µg | - |
| Total nominal quantity of test item (Ms) | 372 µg | ||
| Total quantity of test item (Mo+Mw) in the two-phase system | 353 µg | ||
| Recovery | 95 % | ||
Description of key information
POW = 0.062 ± 0.006 at 20 °C and pH 6.9
log POW = -1.21 at 20 °C and pH 6.9
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.21
- at the temperature of:
- 20 °C
Additional information
OECD 107 - shake flask method
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