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Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 24 August 2015 to December 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

2015-11-28

Type of method:

flask method

Water solubility:

> 791 g/L

Temp.:

20 °C

pH:

5

Remarks on result:

other: water solubility expressed as Active Ingredients

Details on results:

Calculation of recovery in test item solutions:
--------------------------------------------------------------------------------------------
I Reference of test I Theoretical I Final concentration I Recovery
I solutions I concentration I Test item I
I I (g/l) I (g/l) I (%)
I I T I Cf' I R
---------------------------------------------------------------------------------------------
After 24h I A I 884 I 852 I 96%
I B I 885 I 846 I 96%
---------------------------------------------------------------------------------------------
After 48h I C I 884 I 846 I 96%
I D I 886 I 852 I 96%
---------------------------------------------------------------------------------------------
After 72h I E I 883 I 846 I 96%
I F I 889 I 835 I 94%
---------------------------------------------------------------------------------------------

Preliminary test results:

Through serial volume additions of water HPLC to the test item, the following table shows the solubility at 20°C ± 1.0°C.

Weight of test item (g)	Volume of water (mL)	Solubility (g/L)
0.10527	0.1	N	/
	0.2	Y	1000-500

Main test results:

	Reference of test solutions	pH of test solutions	Final concentration Active ingredients   (g/L)	Final concentration Test item   (g/L)
			Cf	Cf’
After 24h	1	4.77	796	852
	2	4.75	791	846
After 48h	3	4.85	791	846
	4	4.80	796	852
After 72h	5	4.85	791	846
	6	4.84	780	835
	Mean		791	846
	SD		5.9	6.3
	RSD (%)		0.7	0.7

No increasing tendency was observed, and results are consistent (<15% deviation), so equilibrium is considered achieved from the first sampling time (24h), and the mean of all results is retained.

The validity criteria are fulfill (RSD between in the samples after 48 and 72 hours less than 15%)

The recovery test show

Conclusions:

Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The solubility of the test item at 20°C± 1.0 °C: > 791 g/L (expressed as Active Ingredients)

Executive summary:

The determination of the test item water solubility was performed with the shake flash method according to recognized guidelines (OECD Guideline 105 and EC A.6 Method) and under GLP.

No deviation from the guidelines was observed during the study.

The solubility in water of the test item is specified by the saturation mass concentration of the test item in water at given temperature.

A preliminary test was performed in order to estimate the saturation concentration of test item in water at 20°C ±1°C.

Then a main study, was performed using a test item concentration five time higher than the estimate water solubility obtained in the preliminary test. In the main study, the solubility in water of the test item was measured after shaking for 24, 48 and 72h test item solution in water at 30°C. At each time two flasks were taken and left in stand in a water bath at 20°C ±1.0°C during minimum 24 hours.

The solubility of the test item at 20°C± 1.0 °C: > 791 g/L (expressed as Active Ingredients)

The test item is considered as very soluble in water at 20°C.

Description of key information

A reliable study performed with the shake flask method according to standard guidelines (OECD 105 and EC A.6 and under GLP) have estimated a water solubility of > 791 g/L (expressed as Active Ingredients) > 846 g/L (expressed as test item).

Key value for chemical safety assessment

Water solubility:

791 g/L

at the temperature of:

20 °C

Additional information

The determination of the test item water solubility was performed with the shake flash method according to recognized guidelines (OECD Guideline 105 and EC A.6 Method) and under GLP. No deviation from the guidelines was observed during the study.

The solubility in water of the test item is specified by the saturation mass concentration of the test item in water at given temperature.

A preliminary test was performed in order to estimate the saturation concentration of test item in water at 20°C±1°C.

Then a main study was performed using a test item concentration five times higher than the estimate water solubility obtained in the preliminary test. In the main study, the solubility in water of the test item was measured after shaking for 24, 48 and 72h test item solution in water at 30°C. At each time two flasks were taken and left in stand in a water bath at 20°C±1.0°C during minimum 24 hours.

The water solubility of the test item at 20°C± 1.0 °C is > 791 g/L (expressed as Active Ingredients) and > 846 g/L (expressed as test item). The test item is considered as very soluble in water at 20°C.

For the purpose of chemical safety assessment, the water solubility of the active ingredients is retained as the key value.