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EC number: 248-053-0 | CAS number: 26850-47-5
- 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:
- October 13, 2016 - November 04, 2016
- 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:
- 46 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 238 g/L
- Incubation duration:
- 4 d
- Temp.:
- 20 °C
- pH:
- 3
- Conclusions:
- The water solubility of the test item a temperature of 20 °C was determined according to the flask method to be: cS= 46 g/L(± 3 g/L)
- Executive summary:
The water solubility of the test subtance was deteremined according to OECD 105 using preliminary visual estimation and flask method. For the preliminary visual estimation of the water solubility a mixture of water and test item ist prepared and assessed visually.
The approximate water solubility of the test item, resulting from the preliminary test, indicates which of the two methods (column elution method < 10 g/L; flask method > 10 g/L). Additionally, the results of the preliminary test provide information regarding the appropriate amount of test item to be used in the main test. As the preliminary visual estimation indicated a solubility above 10 g/L, the flask method was performed.
For the flask method , the quantity of test item necessary to saturate the desired volume of water is estimated from the preliminary test and about five times that quantity is weighed into each of three glass vessels fitted with glass stoppers. The batches including a blank flask without test item are stirred for different times at 30 °C (24 h experiment, 48 h experiment, 72 h experiment) in tightly closed flasks. After equilibration (further stirring for 24 h at 20 °C) the suspensions are taken and prepared for the analytical determination via HPLC. The pH values of the saturated solutions are determined.
The water solubility cSof the test item at a temperature of 20 °C was determined to be: cS= 46 g/L(± 3 g/L)
Reference
Preliminary visual estimation of the water solubility
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 1: Results of the preliminary visual estimation of the water solubility
Amount of test item / mg |
Added volume of demin. water / mL |
Total volume / mL |
Appearance of mixture |
108.3 |
0.1 |
0.1 |
not dissolved |
0.4 |
0.5 |
Slurry, not dissolved |
|
0.5 |
1.0 |
Dark violet mixture, not dissolved |
|
1.0 |
2.0 |
Dark violet mixture, not dissolved |
|
8.0 |
10.0 |
Dark violet mixture, not dissolved |
|
90.0 |
100.0 |
Dark violet mixture, not dissolved |
One additional preliminary test was carried out with specified amount of the test item and 100 mL demineralized water, respectively. After each addition of an amount of water, the mixture was stirred for at least 24 hours, and visually checked for any undissolved particles
Table 2: Results of the preliminary visual estimation of the water solubility
Amount of test item / mg |
Total volume of dist. water / mL |
Appearance of mixture |
49.5 |
100 |
Dark violet, dissolved |
The preliminary visual experiments showed that the water solubility of the test item is > 10 mg/L. According to the preliminary visual estimation in the main test the water solubility was determined by the flask method.
Determination of the water solubility with about 5 g/L and about 10 g/L test item in demin. water showed complete dissolution of the test item. Therefore trials with higher test item concentrations were necessary. Thus the stirrability of higher loaded aqueous mixtures had to be examined. It was found that a mixture of 10 g test item in 40 mL demin. water could be stirred in the water bath.
Flask method
The flask method was performed. The data for the evaluation are given in Table 3. 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 3.
Table 3: 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 |
9.99 |
10.02 |
10.00 |
-- |
Amount of demineralized water / mL |
42 |
42 |
42 |
42 |
Stirring time at 30 °C / h |
24 |
48 |
72 |
72 |
pH at 22 °C |
2.9 |
3.0 |
3.0 |
5.5 |
Aliquot of the flasks / mg |
23.2 |
22.5 |
20.8 |
24.6 |
1stDilution to 100 mL volume / g |
91.2429 |
91.2645 |
91.4138 |
91.3484 |
Dilution factor |
3933 |
4056 |
4395 |
3713 |
Measured concentration / mg/L |
11.89 / 11.85 |
11.89 / 11.86 |
9.60 / 9.58 |
-- / -- |
Mean concentration / mg/L |
11.9 |
11.9 |
9.6 |
-- |
Water solubility / g/L |
46.70 |
48.17 |
42.14 |
-- |
The water solubility of the test item at 20 °C was determined to be 45.67 g/L (± 3.14 g/L).
Final results
The water solubility cS of the test item Basic Blue 41 Chloride at a temperature of 20 °C was determined according to the flask method. It was found to be:
cS= 46 g/L(± 3 g/L)
Description of key information
The water solubility of the test subtance was deteremined according to OECD 105 using preliminary visual estimation and flask method as the preliminary estimation indicated a solubility above 10 g/L. For the flask method, three batches of a measured amount of the test item and deionized water are stirred for 24, 48, and 72 hours at 30°C followed by equilibration (further stirring for 24 h at 20°C).After preparation the concentration of the test item was determined using HPLC.
The water solubility cSof the test item at a temperature of 20 °C was determined to be: cS= 46 g/L(± 3 g/L)
Key value for chemical safety assessment
- Water solubility:
- 46 g/L
- at the temperature of:
- 20 °C
Additional information
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