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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:
03 - 12 July 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
Since the test item is a liquid with a solubility < 10 mg/L, a slow-stirring design was used. This method is based on the OECD Guideline 105 and was adapted to test items which could form an emulsion due to their physical properties.
GLP compliance:
yes (incl. certificate)
Remarks:
Swiss Federal Office of Public Health
Type of method:
other: Slow-stirring deisgn basd on OECD Guideline 105
Remarks:
Time and temperature conditions were based on shake flask method.
Key result
Water solubility:
0.619 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
13 mg/L
Incubation duration:
>= 116 - <= 140 h
Temp.:
20 °C
pH:
>= 7.45 - <= 8.5
Key result
Water solubility:
0.626 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
116 mg/L
Incubation duration:
>= 72 - <= 140 h
Temp.:
20 °C
pH:
>= 6.99 - <= 8.71
Details on results:
0.619 ± 0.059 mg/L obtained for the low loading rate of 12 to 14 mg test item/L. The saturation was achieved after 116 hours incubation while stirring at 30 °C.

0.626 ± 0.072 mg/L obtained for the high loading rate of 114 to 119 mg test item/L. The saturation was achieved after 72 hours incubation while stirring at 30 °C.

The results of the measurements are given in the following table. The tabulated values represent rounded results, obtained by calculation using the exact raw data. The test item gave a chromatographic profile consisting of several peaks.

 

Sample No. Stirring Time

Measured Concentration of Test Item in Sample

Sample Preparation Factor

Concentration of Test Item Determined in Sample

Water Solubility Mean Value

Overall Mean

± Std. Dev.

[Hours]

[mg/L]

 

[mg/L]

[mg/L]

[mg/L]

Low Loading Rate

3-140

6.66

6.55

0.1

0.1

0.666

0.655

 

0.660

0.619

± 0.059

2-116

5.73

5.82

0.1

0.1

0.573

0.582

 

0.577

1-92

3.12

2.81

0.1

0.1

0.312

0.281

0.296*

 

3-72

3.68

3.28

0.1

0.1

0.368

0.328

0.348*

2-48

2.42

2.96

0.1

0.1

0.242

0.296

0.269*

1-24

2.46

2.31

0.1

0.1

0.246

0.231

0.239*

High Loading Rate

6-140

7.04

7.30

0.1

0.1

0.704

0.730

0.717

0.626

± 0.072

5-116

6.46

6.54

0.1

0.1

0.646

0.654

0.650

4-92

5.96

5.94

0.1

0.1

0.596

0.594

0.577

6-72

5.59

5.59

0.1

0.1

0.559

0.559

0.559

5-48

3.49

3.74

0.1

0.1

0.349

0.374

0.361*

 

4-24

1.70

1.93

0.1

0.1

0.170

0.193

0.182*

* Was not used for the calculation of overall mean, as the saturation was achieved only after a longer stirring time.

 

According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. For the low loading rate, the concentrations measured after 140 hours did not exceed by more than 15 % the concentration measured after an incubation time of 116 hours (14 %). The saturation was achieved after 116 hours. For the high loading rate, the concentrations measured after 92 hours did not exceed by more than 15 % the concentration measured after an incubation time of 72 hours (3 %). The saturation was achieved after 72 hours. The acceptance criterium was therefore fulfilled and the study is valid.

For the low loading rate of 12 to 14 mg test item/L, the water solubility at 20 °C was found to be 0.619 ± 0.059 mg/L.

For the high loading rate 114 to 119 mg test item/L, the water solubility at 20 °C was found to be 0.626 ± 0.072 mg/L.

Since the test item is a complex mixture of several constituents with different solubilities influencing each other’s, the measured water solubility has to be seen as an approximation.

Conclusions:
Since the test item is a complex mixture of several constituents (UVCB), the test was carried out at two different loading rates.
A water solubility of 0.619 ± 0.059 mg/L was found for a low loading rate of 12 to 14 mg test item/L at 20 °C and pH 7.45-8.5
A water solubility of 0.626 ± 0.072 mg/L was found for a low loading rate of 114 to 119 mg test item/L at 20 °C and pH 6.99-8.71

Description of key information

Water solubility:

0.619 ± 0.059 mg/L (low loading rate) at 20 °C, pH ca. 8 (OECD Guideline 105, slow-stirring design)

0.626 ± 0.072 mg/L (high loading rate) at 20 °C, pH ca. 8 (OECD Guideline 105, slow-stirring design)

Key value for chemical safety assessment

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

Additional information

The test item is a liquid with a solubility < 10 mg/L, water solubility was determined using a slow-stirring experiment. Time and temperature conditions were based on flask method described by OECD Guideline 105.

The test item is a complex mixture of several constituents (UVCB), the test was carried out at two different loading rates.

A water solubility of 0.619 ± 0.059 mg/L was found for a low loading rate of 12 to 14 mg test item/L at 20 °C and pH 7.45-8.5

A water solubility of 0.626 ± 0.072 mg/L was found for a low loading rate of 114 to 119 mg test item/L at 20 °C and pH 6.99-8.71