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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Study conducted according to internationally accepted testing guidelines. Although 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.
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
Adopted 27.07.95
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
0.004
Temp.:
20 °C
pH:
6.41
Remarks on result:
other: Average Pow
Type:
log Pow
Partition coefficient:
-2.389
Temp.:
20 °C
pH:
6.41
Remarks on result:
other: Average log Pow

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 = 0.0401 g / 100 ml = 0.4010 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow
Conc. (g/l) Conc. (g/l)
70/30 0.4005 0.0014 0.0035 - 2.452750
70/30 0.4002 0.0020 0.0049 - 2.306359
50/50 0.3988 0.0022 0.0055 - 2.262715
50/50 0.3993 0.0017 0.0042 - 2.372386
30/70 0.3981 0.0012 0.0031 - 2.504961
30/70 0.3976 0.0015 0.0037 - 2.437486
pH of the test solution 6.41
Average Pow 0.0042 SD: 0.0007
Average log Pow -2.3894 SD: 0.077
Conclusions:
Average Pow: 0.0042 at 20 °C and at pH of 6.41
Average log Pow: -2.3894 at 20 °C and at pH of 6.41
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 6.41.

Average Pow: 0.0042 (SD: 0.0007)

Average log Pow: -2.3894 (SD: 0.077)

Conclusion

Average Pow: 0.0042 at 20 °C and at pH of 6.41

Average log Pow: -2.3894 at 20 °C and at pH of 6.41

Description of key information

Average log Pow: -2.3894, at 20 °C and pH 6.41

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.389
at the temperature of:
20 °C

Additional information

Shake flask method - OECD 107