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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2015-08-15
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.7
Temp.:
35 °C
pH:
ca. 7

The retention time of the dead time marker, the reference substances and the test substance were determined by UPLC. In the chromatogram of the test solution, one test substance peak was observed. The log k’ of the reference substances as function of log Pow lead to the regression line with following equation: log k’ = 0.361 ´ log Pow – 0.952 (r = 0.998, n = 12). The retention time of the test substance corresponds to a log Pow of 4.7.


 






















































































Substance



t1



t2



Mean t



log Pow



Pow



 



[min]



[min]



[min]



 



 



Formamide (t0)



0.596



0.590



0.593



 



 



2-Butanone



0.674



0.666



0.670



0.3



 



Nitrobenzene



0.929



0.924



0.927



1.9



 



Bromobenzene



1.520



1.512



1.516



3.0



 



Biphenyl



2.519



2.505



2.512



4.0



 



Dibenzyl



4.149



4.126



4.138



4.8



 



Triphenylamine



7.576



7.536



7.556



5.7



 



Test substance



3.987



3.996



3.992



4.7



5.4E04


Conclusions:
The log Pow of the test item was determined to be 4.7 at 35 °C and neutral pH.
Executive summary:

An experimental study was performed to determine the water-octanol partition coefficient according to OECD Guideline 117 and Regulation (EC) No. 440/2008, Method A.8 using the HPLC method. The retention times of six reference items with known log Pow and the test item were measured and the capacity factors were determined. From the linear regression through the log Pow plotted against the logarithm of the capacity factors the log Pow of the test item was determined. The log Pow of the test item was determined to be 4.7 at 35 °C and neutral pH.

Description of key information

The log Pow of the test item was determined to be 4.7 at 35 °C and neutral pH.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.7
at the temperature of:
35 °C

Additional information

An experimental study was performed to determine the water-octanol partition coefficient according to OECD Guideline 117 and Regulation (EC) No. 440/2008, Method A.8 using the HPLC method. The retention times of six reference items with known log Pow and the test item were measured and the capacity factors were determined. From the linear regression through the log Pow plotted against the logarithm of the capacity factors the log Pow of the test item was determined. The log Pow of the test item was determined to be 4.7 at 35 °C and neutral pH.