Registration Dossier
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EC number: 944-045-2 | 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- ca. 0.122
- Temp.:
- 20 °C
- pH:
- 4.05
- Type:
- Pow
- Partition coefficient:
- ca. 1.325
- Temp.:
- 20 °C
- pH:
- 4.05
- Details on results:
- Measurements performed in duplicate. At 20 °C, average Pow is 1.3255 and log Pow is 0.1218.
- Conclusions:
- Average Pow = 1.3255 and log Pow = 0.1218 at 20 °C and pH 4.05.
- Executive summary:
Method
Flask shaking method.
Three ratios of n-octanol/test solution were prepared and kept in shake flasks. These were shooked and kept in a thermostatic bath at 20 °C. Solutions were measured in duplicate in absorbance mode with UV-Vis spectrophotometer and the equilibrium value (after 96 h) was considered for final calculations.
Results
Average Pow = 1.3255 and log Pow = 0.1218 at 20 °C and pH 4.05.
Reference
At 96 h, the system is at equilibrium. Therefore, this duration was considered for final calculations making duplicate determinations of every ratio o/w.
Concentration of mother solution: W1= 0.0155 g/100 ml= 0.1550 g/l
| ratio o/w | water phase | n-octanol phase | Pow | logPow | average logPow |
| c (g/l) | c (g/l) | ||||
| 70/30 | 0.0693 | 0.0857 | 1.2368 | 0.0923 | 0.0923 |
| 70/30 | 0.0693 | 0.0857 | 1.2368 | 0.0923 | |
| 50/50 | 0.0666 | 0.0884 | 1.3288 | 0.1234 | 0.1287 |
| 50/50 | 0.0656 | 0.0894 | 1.3611 | 0.1339 | |
| 30/70 | 0.0656 | 0.0894 | 1.3611 | 0.1339 | 0.1444 |
| 30/70 | 0.0638 | 0.0912 | 1.4286 | 0.1549 | |
| pH of test solution | 4.05 | ||||
| average Pow | 1.3255 | average logPow | 0.1218 | ||
| std. dev. Pow | 0.0808 | std. dev. logPow | 0.027 | ||
Description of key information
Average Pow = 1.3255 and log Pow = 0.1218 at 20 °C and pH 4.05.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.122
- at the temperature of:
- 20 °C
Additional information
OECD gudeline 107 (1995).
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