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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
7 Jan - 28 Apr 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Key result
Water solubility:
1.39 µg/L
Temp.:
20 °C
pH:
6.3

Quantitative determination of the analyte:

Flow rate 25 mL/h

Fraction no.

Volume of combined fractions [mL]

Test substance [µg/L]

-

1(1-2)

26

4.23

-

2(3-4)

26

3.08

-

3(5-6)

25.5

3.14

+

4(7-8)

25

2.00

+

5(9-10)

26

1.54

+

6(11-12)

25.5

1.18

+

7(13-14)

25.5

1.18

+

8(15-16)

26

1.15

Flow rate 50 mL/h

 

-

1(1-2)

27

3.33

+

2(3-4)

28

2.14

+

3(5-6)

28

1.43

+

4(7-8)

27.5

1.45

+

5(9-10)

27.5

0.73

+

6(11-12)

27.5

1.09

-

7(13-14)

27.5

0.36

-

8(15-16)

27.5

0.36

Internal standard: 2.13 µg/L each fraction

Determination of the water solubility at a flow rate of 25 mL/h yielded values in a range from 1.15 µg/L to 4.23 µg/L and at a flow rate of 12.5 mL/h from 0.36 µg/L to 3.33 µg/L. In contradiction to the guideline, the concentrations differ by more than ±30%. This is however due to the low solubility of the test item. Therefore a larger difference is also considered acceptable.

Calculation of the water solubility was performed by the means of five succesive fractions after achieving a plateau (denoted by "+" in the table above; the discarded fractions are denoted by "-"). Mean values: 1.41 µg/L for the flow rate of 25.0 mL/h and 1.37 µg/L for the flow rate of 12.5 mL/h. The reported value of 1.39 µg/L is a formal mean value of the two; the water solubility ranges between 0.73 and 2.14 µg/L.

The calibration curve fits over a range from 0.426 µg/L to 21.320 µg/L. A quadratic fit was used; r² = 0.999.

Description of key information

1.39 µg/L at 20 °C, pH 6.3 (OECD 105)

Key value for chemical safety assessment

Water solubility:
1.39 µg/L
at the temperature of:
20 °C

Additional information

The water solubility of the substance was determined using column elution method. The determined solubility range was 0.73 -2.14 µg/L. The solubility is very low.