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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:
19 January 2021 to 15 March 2021
Reliability:
1 (reliable without restriction)
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
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:
Batch/Lot No.: 021015
Purity: 50% (w/w)
Expiry date: 24 November 2021
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 0.3 - <= 4.52
Temp.:
30 °C
pH:
6.7
Details on results:
As the test item is a UVCB, the HPLC method was used.

As the test item consisted of ammonium salts of dicarboxylic acids, testing was performed at approximately neutral pH with the test item being tested in its ionised form.

As a wavelength of 210 nm was used for the sample injections, the test item’s counter-ion, ammonium, would not have been detected. Therefore, the sample peaks were considered to be due to the ionized, dicarboxylic acid components of the test item.

Using EpiSuite v4.11, © United States Environmental Protection Agency (US EPA), an experimental log10 Pow value -1.38 was given for ammonia. Furthermore, ammonia is an inorganic substance. Therefore, the requirement for assessment of the partition coefficient for the ammonium counter-ion was considered to be unnecessary.



















Dead Time



Retention Time (mins)



Mean Retention Time (mins)



Injection 1



Injection 2



Thiourea



1.705



1.703



1.704



 








































































Standard



Retention Time (mins)



Capacity Factor (k')



Log10 k'



Log10 Pow



Injection 1



Injection 2



Mean



2-Butanone



2.103



2.108



2.106



0.236



-0.628



0.3



Toluene



4.301



4.309



4.305



1.526



0.184



2.7



Naphthalene



5.165



5.177



5.171



2.034



0.308



3.6



Phenanthrene



8.583



8.624



8.604



4.048



0.607



4.5



Triphenylamine



17.557



17.639



17.598



9.326



0.970



5.7



DDT



21.771



21.856



21.813



11.799



1.072



6.5



 



































































Peak



Injection



Retention Time (mins)



Capacity Factor (k')



Log10 k'



Log10 Pow



Mean
Log10 Pow



Mean
Area %



1



1



1.560



<0.236



<-0.628



<0.3



<0.3



78.1



2



1.684



<0.236



<-0.628



<0.3



2



1



4.369



1.564



0.194



3.07



3.07



6.1



2



4.357



1.557



0.192



3.07



3



1



8.384



3.920



0.593



4.51



4.52



15.9



2



8.423



3.942



0.596



4.52



 

Conclusions:
The partition coefficient of the test item at pH 6.7 has been determined to be in the range less than 2.0 to 3.29 x 10(+4), log10 Pow in the range less than 0.3 to 4.52. Using area normalization, 22.0% of the test item gave a log10 Pow value greater than 3.0.

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
4.52
at the temperature of:
30 °C

Additional information