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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:
This study was conducted between 20 September 2016 and 20 January 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study is considered to be a reliability 1 as it has been conducted according to OECD TG 117 (HPLC method) and in compliance with GLP.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
13 April 2004
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
EC 440/2008 of 30 May 2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
I
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 0.969 - ca. 6.5
Temp.:
20 °C
Remarks on result:
other: pH value is not available
Details on results:
Log 10 Pow:0.969 to >6.5 (95.8% having a log10Pow of 4.46).
Partition coefficient 9.31 to >3.16 x 106 (95.8% having a partition coefficient of 2.9 x E04),
pH

Calibration The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards are shown in the following tables:

 Dead Time Retention Time (mins)     Mean Retentions Time (mins)
   Injection 1  Injection 2   
 Thiourea  1.837  1.837  1.837

 Standard  Mean retention Time (mins, n=2)  Capacity factor (k') Log10 k'   Log10 Pow
 2 -Butazone  2.043  0.112  -0.949  0.3
 Benzene  2.609  0.421  -0.373  2.1
 Toluene  3.003  0.635  -0.197  2.7
 Naphthalene  3.280  0.786  -0.105  3.6
 Phenanthrene  4.422  1.41  0.148  4.5
  DDT  9.577  4.21  0.625  6.5

 Peak Number  Injection  Retention Time (mins)  Capacity factor (k')  Log10 k'  Log10 Pow  Average Log10 Pow  % Area
 1  1  2.196  0.196  -0.708  0.982  0.969  0.19
   2.191  0.193  -0.714  0.957    
 2  1  2.672  0.455  -0.342  2.47  2.48  0.22
   2  2.677  0.458  -0.339  2.48    
 3  1  3.003  0.635  -0.197  3.06  3.06  1.37
   2  3.003  0.635  -0.197  3.06    
 4  1  4.422  1.41  0.148  4.47  4.46  95.8
   2  4.417  1.40  0.148  4.46    
 5  1  16.327  7.89  >0.625  >6.5  >6.5  2.45
   2  16.283  7.87  >0.625  >6.5    

Range log10 Pow: 0.969 to >6.5 (95.8% having a log10Pow of 4.46)

Partition coefficient: 9.31 to >3.16 x 106 (95.8% having a partition coefficient of2.9 x 104)

The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item.

Conclusions:
The partition coefficient of the test item has been determined as log P 0.969 to > 6.5 (95.8% having a log10 Pow of 4.46) under OECD TG 117 (HPLC method) in compliance with GLP.

Executive summary:

The partition coefficient of the test item has been determined as log P 0.969 to > 6.5 (95.8% having a log10 Pow of 4.46) under OECD TG 117 (HPLC method).

Description of key information

The partition coefficient of the test item has been determined as log P  0.969 to > 6.5 (95.8% having a log 10 Pow of 4.46) under OECD TG 117 (HPLC method) in compliance with GLP.

Key value for chemical safety assessment

Additional information

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