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EC number: 240-539-0 | CAS number: 16484-77-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 20 November 1987
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: CIPAC Method 'MT 157/water solubility'
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Key result
- Water solubility:
- 860 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- >= 0.5 - <= 4 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- completely miscible
- Water solubility:
- 780 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- >= 0.5 - <= 4 h
- Temp.:
- 20 °C
- pH:
- 3
- Details on results:
- Determination of the solubility in bidistilled water: According to these data, the solubility of the test material, rounded off to two significant digits, is 860 mg x L^-1.
Determination of the solubility in water adjusted to pH 3.0: Measurement in a potassium hydrogen phthalate buffer.
These values indicate that the solubility of the test material in the acid buffer is higher than in bidistilled water. The contrary is expected. Therefore we can assume that the composition of this special buffer influences the solubility.
In order to obtain measuring results that are influenced as little as possible by the presence of foreign ions, in another experiment the pH value of the water was adjusted using a strong inorganic acid.
Measurement in hydrochloric solution of pH 3.0: Calculating the mean from two measuring series we found that 780 mg x L^-1 test material dissolve in water of pH 3 at 20 °C.
Determination of the solubility in the alkaline range: These values show that the water solubility of the test material at pH 9.0 and 9.2 is greater than 50 %. - Conclusions:
- Under the conditions of the study, the solubility data of the test material at 20 °C was 860 mg/L dissolved in bidistilled water and 780 mg/L dissolved in water adjusted on an average of pH 3.
- Executive summary:
The water solubility of the test material was assessed according to guideline CIPAC Method 'MT 157/2 using a flask method and in compliance with GLP.
The test material was added in excess to the water and stirred intensively for half an hour, in one preparation at 10 °C above the test temperature, in another at 10 °C below the test temperature. Then in both preparations the test temperature was adjusted and stirring continued. Beginning from half an hour after the adjustment of the test temperature of 20 °C, samples were drawn from both preparations at various time intervals. The samples consisting of active ingredient suspensions were cleared from solid particles by pressure filtration using the apparatus Satorius SM 16 249 and a 0.2 µ polytetrafluorethylene membrane filter. The resulting clear solutions were analysed using the HPLC analytical method. Determination of the solubility in water adjusted to pH 3, measurement in hydrochloric solution of pH 3 and determination of the solubility in the alkaline range were also assessed.
Under the conditions of the study, the solubility data of the test material at 20 °C was 860 mg/L dissolved in bidistilled water and 780 mg/L dissolve in water adjusted on an average of pH 3. In the alkaline range (pH >9), the test material forms salts. Aqueous solutions containing more than 50 % of the test material as sodium salts, did not show a tendency to crystallisation.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02 February 1999 to 22 June 1999
- 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
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Key result
- Water solubility:
- 880 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Water solubility:
- 6.65 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- pH:
- 4
- Water solubility:
- > 250 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- pH:
- 7
- Water solubility:
- > 250 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- pH:
- 10
- Details on results:
- The detector calibration was found to be linear over the range 0 to 216 mg/L of standard solutions in mobile phase with a regression coefficient of 1.0000
The solubilites were found to be:
Purified water 880 ± 16 mg/L
pH 4 buffer solution 6.65 ± 0.24 g/L
pH 7 buffer solution > 250 g/L
pH 10 buffer solution > 250 g/L
No peaks were observed in the chromatograms of the blank solutions indicating that the analytical method was free from interference. - Conclusions:
- Under the conditions of the study, the solubility of the test material was found to be 880 mg/L in purified water, 6.65 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
- Executive summary:
The water solubility of the test material was assessed according to OECD Test Guideline 105 and EU Method A.6. and in compliance with GLP using a flask method.
Samples of the test material (pure grade) were weighed into separate Wheaton vials. The appropriate solvent (30 mL) was added to the flasks, which were purged with nitrogen, sealed and mixed at 30 °C for 1, 2 and 3 days (it was necessary to adjust the pH 4 samples with a few drops of 1M sodium hydroxide to the intended pH value at the start of the tests). On each occasion duplicate vials were transferred to equilibrate at 20 °C for 24 hours. The samples were then filtered through Whatman filter papers, and a subsample (1 mL) of each filtrate was diluted to volume (15 mL for the samples in purified water, and 50 mL for the samples in pH 4 buffer) with mobile phase for analysis by high performance liquid chromatography (HPLC).
The detector calibration was found to be linear over the range 0 to 216 mg/L of standard solutions in mobile phase with a regression coefficient of 1.0000
No peaks were observed in the chromatograms of the blank solutions indicating that the analytical method was free from interference.
Under the conditions of the study, the solubility of the test material was found to be 880 mg/L in purified water, 6.65 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11 April 1990 to 20 August 1990
- 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
- Qualifier:
- according to guideline
- Guideline:
- other: EPA FIFRA Subdivision D § 63-8
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Key result
- Water solubility:
- 858.6 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- <= 7 d
- Temp.:
- 20 °C
- pH:
- >= 2.78 - <= 3.06
- Conclusions:
- Under the conditions of the study the water solubility of the test material was found to be 858.6 ± 113.6 mg/L at 20 °C.
- Executive summary:
The water solubility of the test material was assessed according to OECD Method 105, EEC Method A6 and EPA FIFRA Subdivision D § 63-8 and in compliance with GLP using the flask method.
The preliminary test samples were sonicated for 1 hour prior to equilibration at 20 °C for 24 hours. All the test material appeared to have dissolved in the first three samples, but some remained undissolved in the last sample, indicating a solubility between 600 and 1 000 mg/L. Consequently, the solubility was determined by the flask shaking method.
Four Pyrex bottles, each containing more than 200 mg of the test material and 200 mL of distilled water, were purged with nitrogen and sealed. The samples were sonicated then two bottles were shaken at 20 °C, and the other two at 30 °C for 48 hours before being transferred to equilibrate at 20 °C. After a further 5, 6 and 7 days, aliquots of the samples were filtered through 0.2 µm Millipore filters. An aliquot (1 mL) of each filtrate was separately diluted to volume (25 mL) with mobile phase and the concentration of the test material in these solutions determined by HPLC/UV analysis.
Under the conditions of the study the water solubility of the test material was found to be 858.6 ± 113.6 mg/L at 20 °C.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25 April to 20 May 1994
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 12 May 1981
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- December 1992
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Key result
- Water solubility:
- 0.86 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- 3.1
- Details on results:
- The chromatograms of the pretreated water samples were comparable with the chromatograms of the standard dilutions. The chromatograms of the pretreated blank water sample did not show any peak with the same retention as the test material.
Preliminary Tests
First, the test material was stirred together with a 0.05 M buffer of pH 5, 7 or 9. However, after the stirring period it appeared that the pH of the test material had dropped significantly.
Apparently, the buffer capacity was too low. Therefore, the test was repeated using higher buffer concentrations (0.5 M). Again, the pH had dropped significantly after the stirring period, so the buffer capacity was still too small.
Finally, NaOH was added to the test material/ 0.5 M buffer mixtures until a pH of 4.9, 6.4 and 8.9, respectively was reached. This resulted in very high water solubilities at higher pH values.
The pH-dependency of the water solubility is very high in the pH range 3 - 7, indicating that the test material has a pKa value around 5.
Because of the very high water solubility, especially at higher pH-values, it is not possible to use a buffer of adequate strength to keep the solution at a constant pH-value.
Therefore, the main study was performed in double distilled water.
No significant differences were observed between the concentrations analysed after the second and third centrifugation step of preliminary tests 1 and 2.
Main Study
No significant differences were observed between the concentrations analysed after the third and fourth centrifugation step.
The 24, 48 and 72 hours measurements were in agreement. Therefore, the water solubility of the test material was calculated as the mean value of all measurements. - Conclusions:
- Under the conditions of the study the water solubility of the test material is 0.86 g/L (pH 3.1) at 20.0 ± 1.0 °C. The pH-dependency of the water solubility is very high.
- Executive summary:
The water solubility of the test material was assessed according to OECD Test Guideline 105 and in compliance with GLP using a flask method.
During the preliminary test, the water solubility of the test material was determined to be> 10^- 2 g/L. Therefore, the flask method was used for subsequent performance of the main study.
An amount of 0.6 - 0.7 g of the test material was weighed into each of three Erlenmeyer flasks. To each flask, 25 mL double distilled water was added. The flasks were securely closed and placed on a magnetic stirring device in a thermostatically controlled waterbath at 30 °C. The content of each flask was stirred for 24, 48 or 72 hours.
After the stirring periods, the flasks were removed from the waterbath and re-equilibrated for 24 hours at 20.0 ± 1.0 °C, with occasional agitation.
The concentration of the test material was determined using a High Performance Liquid Chromatographic method.
No significant differences were observed between the concentrations analysed after the third and fourth centrifugation step.
The 24, 48 and 72 hours measurements were in agreement. Therefore, the water solubility of the test material was calculated as the mean value of all measurements. The pH-dependency of the water solubility is very high.
Under the conditions of the study the water solubility of the test material is 0.86 g/L (pH 3.1) at 20.0 ± 1.0 °C.
Referenceopen allclose all
Results of the Determination of the Solubility in Bidistilled Water
Sample |
Stirring Period at Test Temperature |
Mg Test Material x L^-1 |
A1 |
0.5 h |
901 |
A2 |
1.0 h |
865 |
A3 |
2.0 h |
854 |
A4 |
4.0 h |
865 |
|
|
Mean = 871 |
B1 |
0.5 h |
824 |
B2 |
1.0 h |
839 |
B3 |
2.0 h |
850 |
B4 |
4.0 h |
871 |
|
|
Mean = 846 |
Determination of Solubility in Water Adjusted to pH 3 Measurement in a Potassium Hydrogen Phthalate Buffer
Sample |
Stirring Period at Test Temperature |
Mg Test Material x L^-1 |
A1 |
0.5 h |
1,232 |
A2 |
1.0 h |
1,210 |
A3 |
2.0 h |
1,167 |
A4 |
18.0 h |
1,157 |
|
|
Mean = 1,192 |
B1 |
0.5 h |
1,172 |
B2 |
1.0 h |
1,150 |
B3 |
2.0 h |
1,182 |
B4 |
18.0 h |
1,153 |
|
|
Mean = 1, 164 |
Measurement in Hydrochloric Solution pH 3
Sample |
Stirring Period at Test Temperature |
mg Test Material x L^-1 |
A1 |
0.5 h |
781 |
A2 |
1.0 h |
770 |
A3 |
2.0 h |
776 |
A4 |
4.0 h |
789 |
|
|
Mean = 779 |
B1 |
0.5 h |
776 |
B2 |
1.0 h |
771 |
B3 |
2.0 h |
774 |
B4 |
4.0 h |
792 |
|
|
Mean = 778 |
Determination of the Solubility in the Alkaline Range
Preparation |
Test Material |
mg 6 N NaOH |
% |
pH value |
Density |
A |
2,662.75 |
2,463.52 |
51.90 |
9.0 |
1.2241 |
A |
2,623.80 |
2,429.19 |
51.88 |
9.2 |
1.2257 |
Preliminary Results
Solvent System |
Volume of Solvent (mL) |
Solubility (mg/L) |
Purified water |
20 |
> 500 |
pH 4 buffer |
10 |
> 1 000 |
pH 4 buffer |
5 |
> 2 000 |
pH 4 buffer |
2 |
> 5 000 |
Flask Test
Standard Calibration for the Test Material by HPLC
Standard Concentration (mg/L) |
Peak Area |
21.60 |
306.5 |
43.19 |
619.1 |
86.39 |
1229 |
129.6 |
1871 |
172.8 |
2491 |
216.0 |
3110 |
Linear regression (including x = 0, y = 0)
y = 14.4x - 4.56
r = 1.0000
x = concentration
y = peak area
HPLC Analysis of Samples for the Solubility Test in Purified Water for the Test Material
Sample |
Peak Area |
CA (mg/L) |
Dilution Factor |
CB (mg/L) |
129.6 mg/L std |
1870 |
- |
- |
- |
Sample 1A |
841.0 |
58.40 |
15 |
876.0 |
Sample 1B |
824.0 |
57.22 |
15 |
858.3 |
129.6 mg/L std |
1863 |
- |
- |
- |
129.6 mg/L std |
1863 |
- |
- |
- |
Sample 2A |
832.6 |
58.00 |
15 |
870.0 |
Sample 2B |
846.2 |
58.94 |
15 |
884.1 |
129.6 mg/L std |
1858 |
- |
- |
- |
129.6 mg/L std |
1856 |
- |
- |
- |
Sample 3A |
858.9 |
60.22 |
15 |
903.4 |
Sample 3B |
846.7 |
59.37 |
15 |
890.5 |
129.6 mg/L std |
1840 |
- |
- |
- |
HPLC Analysis of Samples for the Solubility Test in pH 4 Buffer Solution for the Test Material
Sample |
Peak Area |
CA (mg/L) |
Dilution Factor |
CB (mg/L) |
129.6 mg/L std |
1858 |
- |
- |
- |
Sample 1A |
1923 |
134.1 |
50 |
6703 |
Sample 1B |
1860 |
129.6 |
50 |
6482 |
129.6 mg/L std |
1861 |
- |
- |
- |
129.6 mg/L std |
1861 |
- |
- |
- |
Sample 2A |
1992 |
138.2 |
50 |
6910 |
Sample 2B |
1803 |
125.1 |
50 |
6255 |
129.6 mg/L std |
1874 |
- |
- |
- |
129.6 mg/L std |
1840 |
- |
- |
- |
Sample 3A |
1929 |
135.0 |
50 |
6748 |
Sample 3B |
1939 |
135.6 |
50 |
6782 |
129.6 mg/L std |
1864 |
- |
- |
- |
Measurements of Solubility in Purified Water at 20 °C
Sample No. |
Time (Days) |
Concentration (mg/L) |
Mean Concentration (mg/L) |
pH |
|
Held at 30 °C |
Equilibrated at 20 °C |
||||
1A, 1B |
1 |
1 |
876, 858 |
867 |
2.94, 2.94 |
2A, 2B |
2 |
1 |
870, 884 |
877 |
2.96, 2.94 |
3A, 3B |
3 |
1 |
903, 891 |
897 |
2.93, 2.93 |
Water solubility (determined as mean of all samples) = 880 ± 16 mg/L
(C. of V. = 1.8 %)
determined as mean of all samples
Measurements of Solubility in pH 4 Buffer Solution at 20 °C
Sample No. |
Time (Days) |
Concentration (mg/L) |
Mean Concentration (mg/L) |
pH |
|
Held at 30 °C |
Equilibrated at 20 °C |
||||
1A, 1B |
1 |
1 |
6.70, 6.48 |
6.59 |
4.08, 4.04 |
2A, 2B |
2 |
1 |
6.91, 6.26 |
6.58 |
4.09, 4.07 |
3A, 3B |
3 |
1 |
6.75, 6.78 |
6.77 |
4.08, 4.07 |
Water solubility (determined as mean of all samples) = 6.65 ± 0.24 g/L
(C. of V. = 3.6 %)
Measurements of Water Solubility at 20 °C
Sample Number |
Time (Days) |
Concentration (mg/L) |
Mean Concentration (mg/L) |
pH |
|||
Held at 20 °C |
Equilibrated at 20 °C |
||||||
1, 2 |
2 |
5 |
691.8 |
811.6 |
751.7 |
3.02 |
3.03 |
3, 4 |
2 |
6 |
661.1 |
860.6 |
760.9 |
2.82 |
2.78 |
5, 6 |
2 |
7 |
755.8 |
881.8 |
818.8 |
2.86 |
2.79 |
Mean |
777.1 mg/L |
|
Sample Number |
Time (Days) |
Concentration (mg/L) |
Mean Concentration (mg/L) |
pH |
|||
Held at 30 °C |
Equilibrated at 20 °C |
||||||
7, 8 |
2 |
5 |
872.1 |
913.7 |
892.9 |
3.06 |
3.05 |
9, 10 |
2 |
6 |
910.8 |
897.1 |
904.0 |
2.80 |
2.80 |
11, 12 |
2 |
7 |
1035.1 |
1011.2 |
1023.2 |
2.82 |
2.78 |
Mean |
940.0 mg/L |
|
Water solubility* = 858.6 ± 113.6 mg/L.
(C of V = 13.2 %)
* Determined as overall (pooled) mean of all tests.
Results of the Water Solubility Test During the Preliminary Tests
Test System |
Water Solubility (g/L) |
pH |
0.05 M buffer pH 5 |
1.51 |
3.23 |
0.05 M buffer pH 7 |
6.67 |
4.02 |
0.05 M buffer pH 9 |
4.86 |
3.83 |
|
|
|
0.05 M buffer pH 5 |
5.01 |
4.12 |
0.05 M buffer pH 7 |
43.65 |
4.92 |
0.05 M buffer pH 9 |
37.23 |
4.72 |
|
|
|
0.05 M buffer pH 5* |
60.89 |
4.91 |
0.05 M buffer pH 7* |
>331** |
6.44 |
0.05 M buffer pH 9* |
>230** |
8.86 |
* Adjusted with additional NaOH.
** No correction was made for the mass fraction.
Results of the Water Solubility of The Test Material at 20.0 ± 1.0 °C.
Stirring Time (hours) |
Concentrations Analysed (g/L)* |
Mean Concentration (g/L) |
pH** |
24 |
0.84 / 0.84† |
0.84 |
3.1 / 3.1† |
48 |
0.87 / 0.86† |
0.87 |
3.1 / 3.1† |
72 |
0.89 / 0.86† |
0.88 |
3.1 / 3.1† |
|
|
|
|
|
Mean: |
0.86 |
|
* Mean value or duplicate analysis.
** pH values or the 1:1 (v/v) diluted water samples with 0.01 H NaCl.
† Duplicate samples.
Description of key information
Pawliczek (1987)
Under the conditions of the study, the solubility data of the test material at 20 °C was 860 mg/L dissolved in bidistilled water and 780 mg/L dissolve in water adjusted on an average of pH 3.
Comb (2000b)
Under the conditions of the study, the solubility of the test material was found to be 880 mg/L in purified water, 6.65 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
Leeyen (1994)
Under the conditions of the study the water solubility of the test material is 0.86 g/L (pH 3.1) at 20.0 ± 1.0 °C. The pH-dependency of the water solubility is very high.
O'Connor (1990)
Under the conditions of the study the water solubility of the test material was found to be 858.6 ± 113.6 mg/Lat 20 °C.
Key value for chemical safety assessment
- Water solubility:
- 880 mg/L
- at the temperature of:
- 20 °C
Additional information
Pawliczek (1987)
The water solubility of the test material was assessed according to guideline CIPAC Method 'MT 157/2 using a flask method and in compliance with GLP. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The test material was added in excess to the water and stirred intensively for half an hour, in one preparation at 10 °C above the test temperature, in another at 10 °C below the test temperature. Then in both preparations the test temperature was adjusted and stirring continued. Beginning from half an hour after the adjustment of the test temperature of 20 °C, samples were drawn from both preparations at various time intervals. The samples consisting of active ingredient suspensions were cleared from solid particles by pressure filtration using the apparatus Satorius SM 16 249 and a 0.2 µ polytetrafluorethylene membrane filter. The resulting clear solutions were analysed using the HPLC analytical method. Determination of the solubility in water adjusted to pH 3, measurement in hydrochloric solution of pH 3 and determination of the solubility in the alkaline range were also assessed.
Under the conditions of the study, the solubility data of the test material at 20 °C was 860 mg/L dissolved in bidistilled water and 780 mg/L dissolve in water adjusted on an average of pH 3. In the alkaline range (pH >9), the test material forms salts. Aqueous solutions containing more than 50 % of the test material as sodium salts, did not show a tendency to crystallisation.
Comb (2000b)
The water solubility of the test material was assessed according to OECD Test Guideline 105 and EU Method A.6. and in compliance with GLP using a flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
Samples of the test material (pure grade) were weighed into separate Wheaton vials. The appropriate solvent (30 mL) was added to the flasks, which were purged with nitrogen, sealed and mixed at 30 °C for 1, 2 and 3 days (it was necessary to adjust the pH 4 samples with a few drops of 1M sodium hydroxide to the intended pH value at the start of the tests). On each occasion duplicate vials were transferred to equilibrate at 20 °C for 24 hours. The samples were then filtered through Whatman filter papers, and a subsample (1 mL) of each filtrate was diluted to volume (15 mL for the samples in purified water, and 50 mL for the samples in pH 4 buffer) with mobile phase for analysis by high performance liquid chromatography (HPLC).
The detector calibration was found to be linear over the range 0 to 216 mg/L of standard solutions in mobile phase with a regression coefficient of 1.0000
No peaks were observed in the chromatograms of the blank solutions indicating that the analytical method was free from interference.
Under the conditions of the study, the solubility of the test material was found to be 880 mg/L in purified water, 6.65 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
Leeyen (1994)
The water solubility of the test material was assessed according to OECD Test Guideline 105 and in compliance with GLP using a flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
During the preliminary test, the water solubility of the test material was determined to be> 10^-2 g/L. Therefore, the flask method was used for subsequent performance of the main study.
An amount of 0.6 - 0.7 g of the test material was weighed into each of three Erlenmeyer flasks. To each flask, 25 mL double distilled water was added. The flasks were securely closed and placed on a magnetic stirring device in a thermostatically controlled waterbath at 30 °C. The content of each flask was stirred for 24, 48 or 72 hours.
After the stirring periods, the flasks were removed from the waterbath and re-equilibrated for 24 hours at 20.0 ± 1.0 °C, with occasional agitation.
The concentration of the test material was determined using a High Performance Liquid Chromatographic method.
No significant differences were observed between the concentrations analysed after the third and fourth centrifugation step.
The 24, 48 and 72 hours measurements were in agreement. Therefore, the water solubility of the test material was calculated as the mean value of all measurements. The pH-dependency of the water solubility is very high.
Under the conditions of the study the water solubility of the test material is 0.86 g/L (pH 3.1) at 20.0 ± 1.0 °C.
O'Connor (1990)
The water solubility of the test material was assessed according to OECD Method 105, EEC Method A6 and EPA FIFRA Subdivision D § 63-8 and in compliance with GLP using the flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The preliminary test samples were sonicated for 1 hour prior to equilibration at 20 °C for 24 hours. All the test material appeared to have dissolved in the first three samples, but some remained undissolved in the last sample, indicating a solubility between 600 and 1 000 mg/L. Consequently, the solubility was determined by the flask shaking method.
Four Pyrex bottles, each containing more than 200 mg of the test material and 200 mL of distilled water, were purged with nitrogen and sealed. The samples were sonicated then two bottles were shaken at 20 °C, and the other two at 30 °C for 48 hours before being transferred to equilibrate at 20 °C. After a further 5, 6 and 7 days, aliquots of the samples were filtered through 0.2 µm Millipore filters. An aliquot (1 mL) of each filtrate was separately diluted to volume (25 mL) with mobile phase and the concentration of the test material in these solutions determined by HPLC/UV analysis.
Under the conditions of the study the water solubility of the test material was found to be 858.6 ± 113.6 mg/L at 20 °C.
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