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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 Jun - 25 Jul 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Key result
Water solubility:
< 13.3 µg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
6.3

The concentrations of the test item in the different test solutions were calculated automatically using the equation of the calibration curve. The results are listed in the following tables:

 

Results for C16 isononyl esters

In each run, the test item could not be detected in 5 consecutive fractions, hence the water solubility of the test item is considered to be below the detection limit of the analytical method.

Three fractions in the 6.25 mL/h run showed the presence of the test item (two of the values are out of the working range of the method and were determined by extrapolation), this can likely be explained by the fact that some undissolved material was flushed from the column.

Flow rate

 

[mL/h]

Fraction No.

Volume of combined fractions analysed

[mL]

Internal Standard [µg/L]

Test Item

 

[µg/L]

12.5

1 (1-2)

20

105.74

< 13.3

2 (3-4)

20

105.74

< 13.3

3 (5-6)

20

105.74

< 13.3

4 (7-8)

20

105.74

< 13.3

5 (9-10)

20

105.74

< 13.3

6 (11-12)

20

105.74

< 13.3

7 (13-14)

20

105.74

< 13.3

8 (15-16)

20

105.74

< 13.3

6.25

1 (1-2)

20

98.23

< 13.3

2 (3-4)

20

98.23

< 13.3

3 (5-6)

20

98.23

< 13.3

4 (7-8)

20

98.23

< 13.3

5 (9-10)

20

98.23

< 13.3

6 (11-12)

20

98.23

2121.94

7 (13-14)

20

98.23

899.22

8 (15-16)

20

98.23

114.08

 

 

Results for C18 isononyl esters

In each run, the test item could not be detected in 5 consecutive fractions, hence the water solubility of the test item is considered to be below the detection limit of the analytical method.

Three fractions in the 6.25 mL/h run showed the presence of the test item (two of the values are out of the working range of the method and were determined by extrapolation), this can likely be explained by the fact that some undissolved material was flushed from the column.

Flow rate

 

[mL/h]

Fraction No.

Volume of combined fractions analysed

[mL]

Internal Standard [µg/L]

Test Item

 

[µg/L]

12.5

1 (1-2)

20

105.74

< 5.3

2 (3-4)

20

105.74

< 5.3

3 (5-6)

20

105.74

< 5.3

4 (7-8)

20

105.74

< 5.3

5 (9-10)

20

105.74

< 5.3

6 (11-12)

20

105.74

< 5.3

7 (13-14)

20

105.74

< 5.3

8 (15-16)

20

105.74

< 5.3

6.25

1 (1-2)

20

98.23

< 5.3

2 (3-4)

20

98.23

< 5.3

3 (5-6)

20

98.23

< 5.3

4 (7-8)

20

98.23

< 5.3

5 (9-10)

20

98.23

< 5.3

6 (11-12)

20

98.23

2212.98

7 (13-14)

20

98.23

810.67

8 (15-16)

20

98.23

114.08

 

 

Conclusion

The water solubility of the test item is below the detection limit of the analytical method (5.3 and 13.3 µg/L) and hence appears insoluble in water.

With reference to column 2 of Annex VII to REACH “If the substance appears ‘insoluble’ in water, a limit test up to the detection limit of the analytical method shall be performed”, the water solubility of the test item is reported as < 13.3 µg/L (the higher of the two determined detection limits is chosen as a worst case evaluation).

The water solubility was determined at 20 °C. The pH value of the collected aqueous fractions was 6.3.

Description of key information

Water solubility: < 13.3 µg/L at 20 °C, pH = 6.3 (OECD guideline 105, column elution method)

Key value for chemical safety assessment

Additional information

The water solubility of the test item is below the detection limit of the analytical method (5.3 and 13.3 µg/L) and hence appears insoluble in water. The higher of the two determined detection limits is chosen as a worst case evaluation.