Registration Dossier
Registration Dossier
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EC number: 228-995-9 | CAS number: 6388-26-7
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:
- Pow
- Partition coefficient:
- 0.014
- Temp.:
- 20 °C
- pH:
- 6.78
- Type:
- log Pow
- Partition coefficient:
- -1.875
- Temp.:
- 20 °C
- pH:
- 6.78
- Conclusions:
- logPow is -1.8746 at 20 °C and pH 6.78.
- Executive summary:
Method
Partition coefficient estimated using shake flask method according to OECD 107.
Results
logPow is -1.8746 at 20 °C and pH 6.78.
Reference
| ratio o/w | water phase | n-octanol phase | Pow | logPow | average logPow |
| c (g/l) | c (g/l) | ||||
| 70/30 | 0.3857 | 0.0078 | 0.0201 | -1.696013 | -1.7988 |
| 70/30 | 0.3869 | 0.0049 | 0.0125 | -1.901536 | |
| 50/50 | 0.3848 | 0.0042 | 0.0108 | -1.966142 | -1.9171 |
| 50/50 | 0.3838 | 0.0052 | 0.0136 | -1.868056 | |
| 30/70 | 0.3786 | 0.0045 | 0.0118 | -1.929078 | -1.9078 |
| 30/70 | 0.3776 | 0.0049 | 0.0130 | -1.886491 | |
| pH of test solution | 6.78 | ||||
| average Pow | 0.0136 | average logPow | -18.746 | ||
| std. dev. Pow | 0.0023 | std. dev. logPow | 0.066 | ||
Description of key information
logPow = -1.8746 at 20 °C and pH 6.78.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.875
- at the temperature of:
- 20 °C
Additional information
Shake flask method as described in OECD guideline 107.
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