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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:

27 March to 15 June 2015

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. Significant variability was observed in the results. The substance is considered to be adequately characterised with its purity. Therefore validation applies with restrictions.

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

yes

Type of method:

flask method

Remarks:

with slow-stirring adaptation (as recommended in ECHA guidance and Letinski publication)

Specific details on test material used for the study:

Storage condition of test material: In refrigerator (2-8°C) protected from light, container flushed with nitrogen.

Key result

Water solubility:

0.667 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

1.9 g/L

Incubation duration:

144 h

Temp.:

20 °C

pH:

>= 6.5 - <= 6.6

Preliminary test

The content of test substance dissolved in the water sample was 0.381 g/L.

Main study

 

Stirring time [hours]	Analysed Concentration [g/L]	Mean [g/L]	MD (maximum difference) [%]	pH
Main study 1
24	0.338	0.564	88	6.4
48	0.481			6.5
72	0.875			6.5
Main study 2
96	0.682	0.667^1	4.4^1	6.5
120	0.508			6.5
144	0.653			6.6

¹The water solubility of the test substance was given as the mean value of the 96- and 144-hour measurements.

Main study 1:

The maximum difference (MD) calculated from the concentrations in the 24, 48 and 72 hour test samples was > 15% and concentration increased with stirring time. Therefore, it was decided to perform a second main study with longer stirring times.

No test substance was detected in the pre-treated sample from the blank water mixture for Main study 1.

Main study 2:

The maximum difference calculated from the concentrations in the 120, 144 and 168 hour stirred samples was slightly above 15%, however the concentrations did not further increase. In order to meet the criteria water solubility of the test substance was given as the mean value of the 96- and 144- hour measurements, the maximum difference calculated from the concentrations was 4.4%. A small response at the retention time of the test substance was detected in the chromatogram of the pre-treated sample from the blank water mixture for Main study 2. It was considered not to derive from the test substance since the response was negligible and not observed in the blank water mixture of Main study 1.

Executive summary:

The water solubility of the test substance was measured, under GLP, according OECD 105/ EU A6 guideline, flask method with slow-stirring adaptation.

Samples were extracted and analysis was performed using fully validated GC-FID method.

In a first assay, equilibrium was not reached after 72 hours stirring, as concentration increased with stirring time. Therefore, a second study was performed with longer stirring times. The maximum difference calculated from the concentrations in the 120, 144 and 168 hour stirred samples was slightly above 15%, however the concentrations did not further increase. In order to meet the criteria, water solubility of the test substance was given as the mean value of the 96- and 144-hour measurements, the maximum difference calculated from the concentrations was 4.4%.

 

The water solubility of the test substance is 0.667 g/L at 20 °C, pH 6.5-6.6.

Description of key information

Considered moderately soluble, with equilibrium reached at 96h. pH of saturated solution: ca 6.5.

Key value for chemical safety assessment

Water solubility:

0.667 g/L

at the temperature of:

20 °C

Additional information

A reliable experimental study, conducted according to a recognized OECD/EC optimised method, and under GLP, is available. Despite restrictions for the repeatability criteria, it is considered as a key study. The result is retained as key data.