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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:
July 20, 2018 - August 01, 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
European Commission Regulation (EC) No. 440/2008 and No. 260/2014
Deviations:
no
GLP compliance:
no
Type of method:
column elution method
Key result
Water solubility:
< 84 µg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
ca. 6

Preliminary test

Three preliminary tests were carried out with specified amounts of the test item and 100 mL and 500 mLdemineralized water, respectively. After each addition of an amount of water, the mixture was stirred for 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

9.7

100

Not dissolved

9.0

500

Not dissolved

3.9

500

Not dissolved

 

The preliminary test showed that the water solubility of the test item was < 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

100.5 mg of the test item were dissolved in100 mL acetone using ultrasound for 5 min. 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(50 °C, approx. 40 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: 5.7). 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 with50 mL acetone. 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 45h (30 fractions)

 

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

Fraction no

V / mL

pH

Water solubility /µg/L

21

20.0

6.1

< 84

22

20.0

6.2

< 84

23

20.0

6.0

< 84

24

20.0

5.9

< 84

25

20.0

6.1

< 84

 

The water solubility was found to bebelow the quantification limit of 84 µg/L.

 

Column 2:

Rotation period of the fraction collector:         45 min per fraction

Duration of sampling:                           about 45h (60 fractions)

 

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

Fraction no

V / mL

pH

Water solubility /µg/L

50

18.5

6.1

< 84

51

18.5

6.2

< 84

52

18.5

5.9

< 84

53

18.5

5.7

< 84

54

18.5

5.9

< 84

 

The water solubility was found to bebelow the quantification limit of 84 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

25.1

0.293/0.297

14.7

Column 25.0 mL/h

25.1

0.271/0.271

13.6

 

The coating check was successful. Enough test item remained on the columns. The water solubility cs of the test item was below the quantification limit of84 µg/L(mean value of the columns) in both columns.

 

Applicant's summary and conclusion

Conclusions:
The water solubility of the test item at a temperature of 20 °C was determined according to the column elution method. lt was found to be below the quantification limit: < 84 µg/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 < 84 µg/L.

Description of key information

The water solubility of the test item at a temperature of 20 °C was determined according to the column elution method. lt was found to be below the quantification limit: < 84 µg/L.

Key value for chemical safety assessment

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 < 84 µg/L.