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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:
2016-04-01 to 2016-05-10
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2014
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Version / remarks:
1998
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
59.2 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
100 g/L
Incubation duration:
>= 1 - <= 3 d
Temp.:
20 °C
pH:
3.2
Details on results:
The test item concentrations were calculated with the help of the calibration equations given in Table 3 (see Sect. "Remarks on results incl. tables and figures"). Measured concentrations of the test item are summarised in Table 4. The repeatability of the determination was <15% and thus within the range required by the guidelines.

In conclusion: the water solubility of SIKA Aldehyde A was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ± 1°C using the shake-flask method for the performance of the main test.

Preliminary Test
The water solubility of the test item was estimated to be 20 g/L in a preliminary test and therefore the shake-flask method was used in the main test.

Calibration
The calibration solutions were prepared on each analytical occasion. The calibration samples were analysed by HPLC with three parallel injections from each.

Table 1 Data of the calibrations 24 h 

Concentration of the test item µg/mL

Calibration 24 h

 

Mean of the Peak areas of the test item (n=3)

2.30

4678

5.75

21139

11.5

42540

23.0

86909

57.5

220907

115

461144

173

699824

230

930187 (n=2)

 

Table 2 Data of the calibrations 48 h and 72 h

Concentration of  the test item µg/mL

Calibration 48 h

Calibration 72 h

Mean of the Peak Areas of the test item (n=3)

2.02

8689

7594

5.05

19867

19112

10.1

38641

37956

20.2

77823

76754

50.5

201252

194039

101

406124

390716

152

596639

588723

202

808356 (n=1)

787993

 

Table 3 Regression data

Analytical occasion

Constant

X Coefficient

R.Squared

Calibration_24h

-5814

4071

0.9999

Calibration_48h

-13

3964

0.9998

Calibration_72h

-1590

3901

1.0000

 

Table 4 Results of the determination of water solubility of the test item

Sampling time

Measured Concentration Test Item (g/L)

 

Test vessel

Mean with the 95% confidence intervals

Measured pH

After 24h

57.2

56.6 ± 1.20

3.23

56.4

3.19

56.3

3.16

After 48h

60.5

60.2 ± 0.63

3.19

60.3

3.19

60.0

3.20

After 72h

60.2

60.6 ± 1.24

3.16

61.2

3.18

60.4

3.16

 

Conclusions:
In conclusion the water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ± 1°C using the shake-flask method for the performance of the main test.
Executive summary:

The purpose of the study was to evaluate the solubility of the test item in water at 20 ± 1 °C. A preliminary test for solubility was carried out as a range finding test for the decision whether the column elution method or the flask method has to be used for the performance of the main test. The solubility of the test item was higher than 10 mg/L, therefore the shake-flask method was used for the main test. The water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ±1 °C using the shake-flask method for the performance of the main test. The repeatability of the determination was < 15% and thus within the range required by the guidelines.

Description of key information

The water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ± 1°C using the shake-flask method.

Key value for chemical safety assessment

Water solubility:
59.2 g/L
at the temperature of:
20 °C

Additional information

The solubility of the test item in water was determined according to EU Method A.6, OECD 105 and EPA OPPTS 830.7840. A preliminary test for solubility was carried out as a range finding test for the decision whether the column elution method or the flask method has to be used for the performance of the main test. The solubility of the test item was higher than 10 mg/L, therefore the shake-flask method was used for the main test. The water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ±1 °C using the shake-flask method.