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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From January 05 to February 20th, 2018
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:
adopted on 27 July 1995
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 105 (Water Solubility)
Version / remarks:
adopted on 27 July 1995
GLP compliance:
yes (incl. QA statement)
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-1.82
Temp.:
20 °C
pH:
7 - 7.5
Type:
Pow
Partition coefficient:
0.015
Temp.:
20 °C
pH:
7 - 7.5
Details on results:
Solubility in n-octanol: the solubility of test item in n-octanol was determined to be 0.701 g/l with 1.14 % of RSD, for the three replicates. The pH were recorded as 7.45, 7.49 and 7.43 for the three replicates, respectively, during the experimental phase.

Solubility in milli-Q water: the solubility of test item in milli-Q water was determined to be 45.903 g/l with 1.10 % of RSD, for the three replicates. The pH were recorded as 7.02, 7.09 and 7.06 for the three replicates, respectively, during the experimental phase.

Individual solubilities

Standard conc. (mg/l) Dilution factor Conc. obtained (g/l) Mean conc. obtained (g/l) ± SD % RSD

Solubility in n-octanol
2.01 500 0.714 0.701 0.008 1.14
2.01 500 0.703
2.01 500 0.695
2.01 500 0.693
2.01 500 0.699
2.01 500 0.704

Solubility in Milli-Q-water
2.01 12500 46.55 45.903 0.505 1.1
2.01 12500 46.27
2.01 12500 45.34
2.01 12500 45.44
2.01 12500 46.22
2.01 12500 45.6
Conclusions:
log Pow: -1.82 at 20 °C and pH 7 - 7.5
Executive summary:

The partition coefficient of test item was determined from individual solubility in octanol and water. The testing procedures and method were in accordance to the indications outlined into the OECD guidelines 107 and 105. For test substance identification and quantification, an analytical HPLC-UV method was validated, in accordance with SANCO/3029/99. Saturated n-octanol and milli-Q water were prepared in separate bottles and the experiment was performed in triplicates at a temperature of 20 °C.

The solubility in n-octanol was determined to be 0.701 g/l with 1.14 % of RSD, for the three replicates. The pH were recorded as 7.45, 7.49 and 7.43 for the three replicates, respectively, during the experimental phase.

The solubility of test item in milli-Q water was determined to be 45.903 g/l with 1.10 % of RSD, for the three replicates. The pH were recorded as 7.02, 7.09 and 7.06 for the three replicates, respectively, during the experimental phase.

The partition coefficient was calculated to be 0.015 (i.e. logPow of -1.82 at 20 °C and pH 7 - 7.5.

Conclusion

log Pow: -1.82 at 20 °C and pH 7 - 7.5

Description of key information

log Pow: -1.82 at 20 °C and pH 7 - 7.5

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.82
at the temperature of:
20 °C

Additional information

OECD 107 and 105 - estimation method (solubility ratio)