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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05 January 2017 to 20 January 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Version / remarks:
2006
GLP compliance:
yes (incl. QA statement)
Type of method:
slow-stirring method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
photometric method
Key result
Type:
log Pow
Partition coefficient:
6.23
Temp.:
25 °C
pH:
7
Remarks on result:
other:
Remarks:
Testing was performed without pH adjustment to the mobile phase.
Details on results:
The equilibrium was achieved after 189 hours, with four consecutive sampling times yielding similar log Pow values. The overall mass balance was calculated and recovery values compared to the added total amount of test item ranged from 93 to 94%.

Table 1. Slow-Stirring Test - Results obtained for Log Pow

 Stirring time (hours  Measured concentration in n-octanol (mg/L)        Measured concentration in water (mg/L)        Log Pow      
   Test 1  Test 2  Test 3  Test 1  Test 2  Test 3  Test 1  Test 2  Test 3
 189  18688  19449  19547  0.0076  0.0155  0.0084  6.39  6.10  6.37
 206  19087  19292  19483  0.0091  0.0170  0.0095  6.32  6.06  6.31
 211  19039  19273  19941  0.0099  0.0173  0.0102  6.28  6.05  6.29
 216  18574  18787  18884  0.0095  0.0180  0.0095  6.29  6.02  6.30
                 Mean values    6.32  6.06  6.32
                 Overall mean          6.23 ± 0.15 (2.4% RSD)

The tabulated values of the samples represent rounded results obtained by calculation using the exact data.

Conclusions:
The log partition coefficient of the test material was determined to be 6.23 ± 0.15 at 25°C.
Executive summary:

The partition coefficient (n-octanol/water) was tested according to OECD TG 123 (2006). This study is assigned a reliability of 1 (reliable without restrictions) as it followed an accepted guideline and was GLP-compliant. The log partition coefficient of the test material was determined to be 6.23 ± 0.15 at 25°C.

Description of key information

The log partition coefficient of the test material was determined to be 6.23 ± 0.15 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.23
at the temperature of:
25 °C

Additional information

The partition coefficient (n-octanol/water) was tested according to OECD TG 123 (2017). This study is assigned a reliability of 1 (reliable without restrictions) as it followed an accepted guideline and was GLP-compliant. The log partition coefficient of the test material was determined to be 6.23 ± 0.15 at 25°C by the slow-stirring method.