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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:
from 2009-04-06 to 2009-06-19
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study is regarded as reliable without restrictions because it was conducted in compliance with GLP regulation and guideline.
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
440/2008/EC; 31 May 2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
27 July 1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Version / remarks:
March 1998
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
72.8 mg/L
Temp.:
20 °C
pH:
10.2
Details on results:
The test item concentrations were calculated with the help of the calibration equations given in Table 2 (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 the test item was determined to be 72.8 ± 11.2 mg/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 30 mg/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. Means of the peak areas of the test item are presented in Table 1.

The calibration curves were constructed applying weighted linear regression by Statistica for Windows software, using 1/concentration as weighting factor.

The concentrations were calculated with the help of the calibration equation given in Table 2.

Table 1. Data of the calibrations

Concentration of the Test Item µg/mL

Calibration_24h

Calibration_48h

Calibration_72h

Mean of the Areas Test Item (n=3)

1.04

12053

11058

13844

2.08

28391

32810

-

5.20

98206

98801

98930

10.4

201443

202457

202099

20.8

404865

392639

410755

52.0

1025285

987267

982594

 

Table 2. Regression data

Analytical occasion

Constant

X Coefficient

R. Squared

22 April 2009 Calibration_24h

-9525

19967

1.000

23 April 2009 Calibration_48h

-7372

19332

0.999

24 April 2009 Calibration_72h

-4897

19373

0.999

The test item concentrations were calculated with the help of the calibration equations given in Table 2. 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 guideline.

 

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

Measured concentration after 24 hours (mg/L)

pH

Measured concentration after 48 hours (mg/L)

pH

Measured concentration after 72 hours (mg/L)

pH

Solubility of the test item (mg/L)

69.6

10.17

73.1

10.06

77.4

10.02

72.8 ± 11.2

70.9

10.19

74.9

10.09

80.3

10.10

70.2

10.15

62.7

10.05

76.4

10.11

Mean: 70.2 ± 1.6

10.2

Mean: 70.3 ± 16.3

10.1

Mean: 78.0 ± 5.0

10.1

RSD% = 6

Conclusions:
In conclusion, the water solubility of the test item and MXDA was determined to be 72.8 ± 11.2 mg/L (95 % confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance of the main test.
Executive summary:

The water solubility of the test item was determined according to OECD 105 and EU Method A.6, resulting in 72.8 ± 11.2 mg/L (95 % confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance of the main test. Thus, the test item was considered slightly soluble in water.

Description of key information

The water solubility of the test item was determined according to EU Method A.6, resulting in 72.8 ± 11.2 mg/L at 20 °C (slightly soluble).

Key value for chemical safety assessment

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

Additional information

The water solubility of the test item was determined according to OECD 105 and EU Method A.6, resulting in 72.8 ± 11.2 mg/L (95 % confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance of the main test. Thus, the test item was considered slightly soluble in water.

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