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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
20.-27.10.2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
European Commission Regulation (EC) No. 440/2008 and No. 260/2014,
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
no
Type of method:
column elution method
Key result
Water solubility:
0.17 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
> 6.1 - < 6.2

reliminary test


Three preliminary tests were carried out with specified amounts of the test item and 100 ml and


500 ml demineralized water, respectively. After each addition of an amount of water, the mixture


was stirred for at least 24 hours, and visually checked for any undissolved particles.


 


 


Table: Results of the preliminary test


























Amount of test item /mg



Total volume of demineralized water / mL



Appearance of mixture



11.2



100



Not dissolved



10.3



500



Not dissolved



4.1



500



Not dissolved



 


The preliminary test showed that the water solubility of the test item is < 10 mg/L. According to the preliminary test the water solubility was determined by the column elution method in the main test.


 


Column elution method


109.0 mg of the test item were dissolved in 100 mL in acetone. For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (40 °C, approx. 20 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature: 20 °C; water pH at 23 °C: 5.9). After a swelling time of 2 h pumps were started to rinse the test item coated sand with demineralized water. At the end of the study it was confirmed that residual test item remained on the columns. The residual test item was eluted with 50 mL acetone. The eluate was diluted from 0.1 mL to 10 mL and again from 0.5 mL to 1.0 mL with acetonitrile. As blank value demineralized water was tested. No signal was detected in the range of the retention time of the test item. The concentration of the test item was quantified by HPLC.


 


Column 1:


Rotation period of the fraction collector:          90 min per fraction


Duration of sampling:                           about 51 h (34 fractions)


 


Table column elution method, column 1 (approx. 12.5 mL/h)










































Fraction no



V / mL



pH



Water solubility / µg/L



25



19.0



6.1



158



26



19.0



6.2



160



27



19.0



6.2



166



28



19.0



6.2



159



29



19.0



6.2



157



 


The water solubility was found to be 160 µg/L.


 


Column 2:


Rotation period of the fraction collector:          45 min per fraction


Duration of sampling:                           about 51 h (68 fractions)


 


Table column elution method, column 2 (approx. 25.0 mL/h)










































Fraction no



V / mL



pH



Water solubility / µg/L



50



17.5



6.2



172



51



17.5



6.2



178



52



17.5



6.2



171



53



17.5



6.3



172



54



17.5



6.2



172



 


The water solubility was found to be 173 µg/L.


 


In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed.


 


Table Coating check
























 



Amount of test item


used for coating /mg



Measured concentration of


 test item in eluate /mg/L



Amount of test item


 eluated /mg



Column 12.5 mL/h



27.5



4.729 / 4.728



23.6



Column 25.0 mL/h



27.5



4.787 / 4.781



23.9



 


The coating check was successful. Enough test item remained on the columns. The water solubility cs of the test item was determined to be 166 µg/L (mean value of the columns) in both columns.

Conclusions:
The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method. It was found to be below the quantification limit: cs = 0.17 mg/L.
Executive summary:

The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 10 mg/L. The column elution method showed a solubility: cs = 0.17  mg/L.

Description of key information

The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method was found to be cs = 0.17 mg/L.

Key value for chemical safety assessment

Water solubility:
0.17 mg/L
at the temperature of:
20 °C

Additional information

The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 10 mg/L. The column elution method showed a solubility: cs = 0.17 mg/L.