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EC number: 812-745-6 | CAS number: 205041-15-2
- 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:
- 2020-05-25 to 2020-06-25
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- flask method
- Key result
- Water solubility:
- > 497 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- 4.2
- Remarks on result:
- other: Mean solubility resulting from two experiments
- Conclusions:
- The water solubility of the test item at 20 °C was determined to be > 497 g/L (pH 4.2).
- Executive summary:
The water solubility of the test item was determined according to OECD guideline 105 by the flask method applying HPLC. The water solubility of the test item at 20 °C was determined to be > 497 g/L (pH 4.2).
Reference
Preliminary estimation of the water solubility - visual estimation:
Increasing amounts of distilled water were added stepwise to 94.11 mg of the test item and the mixture was shaken for 10 minutes (Table 1).
Table 1: Appearance of test mixtures - I
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
94.11 |
0.1 |
Undissolved particles |
|
0.5 |
Clear solution, test item completely dissolved |
In a total volume of 0.5 mL of distilled water the test item was completely dissolved. Thus, the water solubility of the test item in distilled water was estimated to be between 188.22 g/L and 941.1 g/L. Due to the fact that the estimated solubility of the test item was above 10 mg/L, the main test for the determination of the water solubility had to be performed according to the flask method.
Visual estimation with adapted weights and quantities of distilled water:
Due to the wide solubility range, the pre-test was carried out with adapted weights and quantities of distilled water in order to obtain a more accurate result. Increasing amounts of distilled water were added step-wise to 977.19 mg of the test item. The test item was weighed into a 10 mL graduated cylinder, then increasing volumes of distilled water were added portion-wise at room temperature according to Table 2. After each addition up to the indicated amount of distilled water, the mixture was shaken vigorously for 10 minutes and visually checked for any undissolved amounts of the sample.
Table 2: Appearance of the test mixtures - II
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
Final volume [mL] |
977.19 |
0.5 |
Undissolved particles |
|
0.6 |
Undissolved particles |
|
|
0.7 |
Undissolved particles |
|
|
0.8 |
Undissolved particles |
|
|
0.9 |
Undissolved particles |
|
|
1.0 |
Clear solution, test item completely dissolved |
1.9 |
After addition of 1.0 mL distilled water, the test item was completely dissolved. The final volume increased to 1.9 mL. This results in a water solubility in distilled water of about 514 g/L.
Main test (flask method):
The amounts given in Table 3 are initial weights of the test item. 1 mL of distilled water were added to three individual sample weights of approximately 2.5 g of the test item and stirred at 30 °C for different time intervals. After equilibration (24 h at 20 °C), the samples were partly gel-like, partly solid and a separation was not possible. Therefore, the test was stopped and a minimum solubility was determined.
Table 3: Test conditions for the experiments in distilled water
Flask |
1 |
2 |
3 |
Blank |
Amount test item [mg] |
2504.32 |
2501.29 |
2503.31 |
- |
Stirring time at 30 °C [h] |
72 |
48 |
24 |
72 |
Equilibration time at 20 °C [h] |
24 |
24 |
24 |
24 |
Minimum solubility:
Two sample weights of approximately 1000 mg of the test item were weighed into 2 mL volumetric flasks. The flasks were filled with distilled water and stirred at 20 °C for 2 hours. After equilibration aliquots of the clear aqueous phases were diluted 0.1 mL to 100 mL with water / acetonitrile (95:5, v/v) and 0.4 mL to 100 mL water / acetonitrile (95:5, v/v). The aliquots were directly analysed by HPLC. Each sample was injected twice.
Table 4: Test conditions of the minimum solubility in distilled water
Test |
1 |
2 |
Blank |
Amount test item [mg] |
995.04 |
1001.52 |
- |
Stirring time at 30 °C [h] |
- |
- |
- |
Equilibration time at 20 °C [h] |
2.0 |
2.0 |
2.0 |
pH at room temperature |
4.29 |
4.16 |
6.23 |
Mean concentration test 1: 490.4 g/L (490.8090 and 490.0683 g/L), mean concentration test 2: 497.2 g/L (495.6553 and 498.7960 g/L), minimum solubility (test 1 and 2) 497 g/L (relative standard deviation: 1%)
The measured concentrations of test no. 1 and test no. 2 were found to be concentrations of clear solutions of the test item in distilled water. As there was no undissolved test item left, the measured concentrations can be regarded as minimum solubilities at the analysed pH. The actual solubility of the test item in distilled water might be higher than the measured minimum solubility.
Description of key information
The water solubility of the test item was determined according to OECD guideline 105 by the flask method applying HPLC. The water solubility of the test item at 20 °C was determined to be > 497 g/L (pH 4.2).
Key value for chemical safety assessment
- Water solubility:
- 497 g/L
- at the temperature of:
- 20 °C
Additional information
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