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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:
December 18, 2017 to March 09, 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Key result
Water solubility:
122 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
490 g/L
Incubation duration:
24 h
Temp.:
30 °C
pH:
5.9
Key result
Water solubility:
130 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
493 g/L
Incubation duration:
48 h
Temp.:
30 °C
pH:
6
Key result
Water solubility:
78 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
495 g/L
Incubation duration:
72 h
Temp.:
30 °C
pH:
6.1
Remarks on result:
other:
Remarks:
It is assumed that the significantly lower value of the water solubility resulting from the 72 h experiment compared to the shorter stirred experiments (48 h and 24 h) results from a further decomposition of the test item. Therefore solely the water solubility values of the 24 h and 48 h experiment were taken into account for the final value of the water solubility.
Details on results:
Individual results

Preliminary test
In a stepwise procedure, increasing volumes of demineralized water were added at room temperature to a defined amount of the test item. After each addition of an amount of water the mixture was treated with ultrasound for 10 minutes and visually checked for any undissolved particles.
Table: Results of the preliminary test
Amount of test item / mg Added volume of demineralized water/ mL Total volume of demineralized water/ mL Appearance of mixture
99.2 0.1 0.1 blue precipitate
0.4 0.5 blue solution with particles
0.5 1.0 blue solution with small particles
1.0 2 clear blue solution without any particles
The preliminary test showed that the water solubility of the test item is > 10 mg/L (between 49.6 g/L and 99.2 g/L). According to the preliminary test the water solubility was determined by the flask method in the main test.

Flask method
The flask method was performed as described above. The data for the evaluation are given in Table 5. After the equilibration time precipitate was observed in the flasks of the experiments excluding in the blank experiment. The water solubility was calculated from the measured and unrounded concentration values and not from the rounded values given in Table 5.
Table 5: Water solubility experiments of the test item
Experiment 24 h experiment 48 h experiment 72 h experiment Blank experiment (72 h)
Amount of test item / g 4.90 4.93 4.95 --
Amount of demineralized water / mL 10 10 10 10
Stirring time at 30 °C / h 24 48 72 72
pH at 24 °C 5.9 6.0 6.1 5.5
Dilution factor 1000 1000 1000 1000
Measured concentration / mg/L 122.0 / 122.1 130.0 / 130.1 78.2 / 78.0 -- / --
Mean concentration / mg/L 122.1 130.1 78.1 --
Water solubility / g/L 122 130 78 --
The HPLC chromatograms given in chapter 6 showed that the samples of the water solubility experiments had two additional signals between 5.5 min and 6 min (despite of the test item signal at 6.2 min), compared to the standard solution of the test item. These additional signals which may result from a decomposition of the test item increased in the 72 h experiment, compared to the shorter stirred experiments (24h and 48 h). Therefore it is assumed that the significantly lower value of the water solubility resulting from the 72 h experiment compared to the shorter stirred experiments (48 h and 24 h) results from a further decomposition of the test item. Therefore solely the water solubility values of the 24 h and 48 h experiment were taken into account for the final value of the water solubility.
The water solubility of the test item at 20 °C was determined to be 126 g/L (± 10 g/L) without correction of the purity.
Executive summary:

Final results

The water solubility cSof the test item Reactive Blue 114 at a temperature of 20 °C was determined according to the flask method. Without correction of the purityit was found to be:

                                                                 cS = 126 g/L (± 10 g/L)

 

Description of key information

Key value for chemical safety assessment

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

Additional information