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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:
30 June 2014 to 13 April 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
< 0 g/L
Conc. based on:
test mat.
Incubation duration:
24 h
Temp.:
20 °C
pH:
>= 5.8 - <= 6.1
Remarks on result:
other: The water solubility of the test item was determined to be less than 2.04 x 10E-06 g/L at 20.0 ± 0.5 °C.
Details on results:
PRELIMINARY TEST
- The preliminary estimate of the water solubility was 2.24 x 10E-05 g/L at 20.0 ± 0.5 °C.

DEFINITIVE TEST
- Typical chromatograms for the 0.102 mg/L standard, the 0.005 mg/L standard, Sample 3A and the Matrix Blank are attached.
- Mean total peak areas for the standard and sample solutions are shown in Table 3.5 (attached).
- The calibration curve constructed from the standard data and from which the sample concentrations were interpolated is shown in Figure 3.3 (attached).
- Concentration of test item determined as present in the sample solutions is given in Table 3.6 (below).

Table 3.6 – Concentration of test item in sample solutions

Sample number

Time shaken at approx 30 °C (h)

Time equilibrated at 20 °C (h)

Concentration (g/L)

Solution pH

1

24

24

< 2.04 x 10-6

6.0

2

48

24

< 2.04 x 10-6

5.8

3

72

24

< 2.04 x 10-6

6.1

Overall concentration: less than < 2.04 x 10-6g/L at 20.0 ± 0.5 °C

 

 

Conclusions:
The water solubility of the test item was determined to be less than 2.04 x 10E-06 g/L at 20.0 ± 0.5 °C.
Executive summary:

GUIDELINE

The determination was carried out using the flask method and a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

METHOD

The test system consisted of purified water (reverse osmosis). A preliminary test was performed in order to determine the approximate amount of test item to be used in the definitive test.

RESULTS

On completetion of the equilibration period, the samples were visually clear, colourless solutions with excess test item present and no definitive Tyndall beam effect after filtration.

The ion chosen for the analysis by mass spectrometry was that of the representative structure of the test item as provided by the Sponsor. The preliminary result was higher than the definitive test result as they were based on the lowest standard used in the analysis. The applicable standard concentration was then multiplied by the sample dilution factor and taken as taken as a limit value to represent the water solubility as a worst case scenario. The water solubility was expected to be extremely low as its estimate based on the representative structure using WSKOW v 1.42 was 6 x 10E-30 mg/L.

CONCLUSION

The water solubility of the test item was determined to be less than 2.04 x 10E-06 g/L at 20.0 ± 0.5 °C.

Description of key information

The water solubility of the test item was determined to be less than 2.04E-06 g/L at 20.0± 0.5 °C (OECD 105 and EU Method A.6).

Key value for chemical safety assessment

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

Additional information

GUIDELINE

The determination was carried out using the flask method and a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

METHOD

The test system consisted of purified water (reverse osmosis). A preliminary test was performed in order to determine the approximate amount of test item to be used in the definitive test.

RESULTS

On completetion of the equilibration period, the samples were visually clear, colourless solutions with excess test item present and no definitive Tyndall beam effect after filtration.

The ion chosen for the analysis by mass spectrometry was that of the representative structure of the test item as provided by the Sponsor. The preliminary result was higher than the definitive test result as they were based on the lowest standard used in the analysis. The applicable standard concentration was then multiplied by the sample dilution factor and taken as taken as a limit value to represent the water solubility as a worst case scenario. The water solubility was expected to be extremely low as its estimate based on the representative structure using WSKOW v 1.42 was 6.0E-30 mg/L.

CONCLUSION

The water solubility of the test item was determined to be less than 2.04E-06 g/L at 20.0± 0.5 °C.