Registration Dossier
Registration Dossier
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EC number: 256-851-5 | CAS number: 50925-42-3
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:
- 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- Adopted 27.07.95
- Deviations:
- no
- Principles of method if other than guideline:
- The values recorded are outside of the applicability domain for the test method, the results can be considered as reliable and representative for the tested substance. The study outcomes are indicative of a high affinity with the water phase, respect than the octanol one.
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 0.001
- Temp.:
- 20 °C
- pH:
- 6.8
- Remarks on result:
- other: Average Pow (SD: 0.0002)
- Type:
- log Pow
- Partition coefficient:
- -2.876
- Temp.:
- 20 °C
- pH:
- 6.8
- Remarks on result:
- other: Average log Pow (SD: 0.067)
- Conclusions:
- An average log Pow: -2.8761, at 20 °C and pH 6.80 was measured.
An average Pow: 0.0013, at 20 °C and pH 6.80 was measured. - Executive summary:
Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. Partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting in two largely immiscible solvents.
Study conducted at 20 °C and at pH of 6.80.
An average log Pow: -2.8761, at 20 °C and pH 6.80 was measured.
An average Pow: 0.0013, at 20 °C and pH 6.80 was measured.
Reference
At 96 hours values reached equilibrium, and so this value was considered for final calculations making duplicate determinations of every ratio o/w.
Concentration of mother solution: W1 = 0.0429 g / 100 ml = 0.4290 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow |
| Conc. (g/l) | Conc. (g/l) | |||
| 70/30 | 0.4287 | 0.0007 | 0.0016 | - 2.809560 |
| 70/30 | 0.4287 | 0.0007 | 0.0016 | - 2.809560 |
| 50/50 | 0.4284 | 0.0006 | 0.0013 | - 2.876218 |
| 50/50 | 0.4284 | 0.0006 | 0.0013 | - 2.876218 |
| 30/70 | 0.4279 | 0.0005 | 0.0011 | - 2.942587 |
| 30/70 | 0.4279 | 0.0005 | 0.0011 | - 2.942587 |
| pH of the test solution | 6.80 | |||
| Average Pow | 0.0013 | SD: 0.0002 | ||
| Average log Pow | -2.8761 | SD: 0.067 |
Description of key information
An average log Pow: -2.8761, at 20 °C and pH 6.80 was measured.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.876
- at the temperature of:
- 20 °C
Additional information
Shake flask method - OECD 107
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