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EC number: 227-841-8 | CAS number: 6000-43-7
- 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:
- 2019-03-29 to 2019-04-05
- 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:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 825.32 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 2 500 g/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 1
- Details on results:
- A mean concentration of 825.32 g/L with standard deviation of 25.69 g/L was calculated, giving a relative standard deviation of 3.1 %.
- Conclusions:
- The water solubility of the test item was determined to be 825.3 g/L at 20 °C.
- Executive summary:
The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis. The solubility of the test item was determined by measurement of the test item concentration in the filtrated test solutions using HPLC/FLD (fluorescence light detection) after automated sample preparation are performed until equilibrium is reached. In the pre-test, the test tube with nominal concentrations of 200 – 1000 g/L appeared clear. The solubility was expected to lie above 10 mg/L, therefore the flask method was used according to the guideline. 2500 g/L nominal concentration was chosen. Three flasks were used during equilibration and five flasks for the determination at the plateau. Seven flasks were set onto the shaking apparatus immediately. After 24 h and after 48 h, flask were set on the shaker and all flasks were shaken for further 24 h at room temperature (20.0 ± 0.5 °C). Then, flasks were taken from the shaker, samples were taken, membrane filtrated with a nylon filter and analysed. No rising tendency in the test item concentration of the solutions was found on day 3. No Tyndall effect (i.e. a laser beam was not scattered when transmitted through the liquid) could be observed indicating that no colloidal dispersed particles or micelles were present. The pH of each sample was recorded. The water solubility of the test substance was determined to be 825.3 ± 25.7 g/L (95 % confidence interval) at 20 °C ± 1 °C and 1).
Reference
Measurements during Equilibration
The data which was acquired during equilibration time (flask 1A-C, days 1 – 3) is presented in the following table:
Day |
Temperature |
pH* |
Peak [mV*min] |
Measured |
Concentration |
Difference to |
1 |
20.0 |
~1 |
14.3871 |
0.310 |
775.3 |
- |
2 |
20.0 |
~1 |
14.0717 |
0.303 |
758.3 |
-2.2% |
3 |
20.0 |
~1 |
14.5778 |
0.314 |
785.5 |
3.6% |
Measurements at Plateau
The concentrations of the test item were determined from the measured values.
Flask |
Temperature |
pH* |
Peak Area |
Concentration |
Dilution |
Concentration |
1C |
20.0 |
~1 |
14.5778 |
0.314 |
2.5 * 106 |
785.5 |
2 |
20.0 |
-0.35 |
15.1346 |
0.326 |
2.5 * 106 |
815.5 |
3 |
20.0 |
-0.31 |
15.7698 |
0.340 |
2.5 * 106 |
849.6 |
4 |
20.0 |
-0.35 |
15.6442 |
0.337 |
2.5 * 106 |
842.9 |
5 |
20.5 |
-0.33 |
46.4215 |
0.999 |
2.5 * 106 |
2498.0 |
6 |
20.5 |
-0.34 |
15.4624 |
0.333 |
2.5 * 106 |
833.1 |
Values in italics: Outlier, dilution error; was not used for evaluation
Temperature was measured with 20.0 – 20.5 °C in flasks 1C – 6.
Day |
Flask |
Concentration |
Total Mean |
Total Standard Deviation |
1 |
1A |
775.3 |
|
|
2 |
1B |
758.3 |
|
|
3 |
1C |
785.5 |
825.32 |
25.69 (3.1) |
3 |
2 |
815.5 |
||
3 |
3 |
849.6 |
||
3 |
4 |
842.9 |
||
3 |
6 |
833.1 |
||
3 |
5 |
2498.0 |
|
|
A mean concentration of 825.32 g/L with standard deviation of 25.69 g/L was calculated, giving a relative standard deviation of 3.1 %.
Description of key information
The water solubility of the test item was determined to be 825.3 g/L at 20 °C.
Key value for chemical safety assessment
- Water solubility:
- 825.3 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis (reference 4.8-1). The solubility of the test item was determined by measurement of the test item concentration in the filtrated test solutions using HPLC/FLD (fluorescence light detection) after automated sample preparation are performed until equilibrium is reached. In the pre-test, the test tube with nominal concentrations of 200 – 1000 g/L appeared clear. The solubility was expected to lie above 10 mg/L, therefore the flask method was used according to the guideline. 2500 g/L nominal concentration was chosen. Three flasks were used during equilibration and five flasks for the determination at the plat-eau. Seven flasks were set onto the shaking apparatus immediately. After 24 h and after 48 h, flask were set on the shaker and all flasks were shaken for further 24 h at room temperature (20.0 ± 0.5 °C). Then, flasks were taken from the shaker, samples were taken, membrane filtrated with a nylon filter and analysed. No rising tendency in the test item concentration of the solutions was found on day 3. No Tyndall effect (i.e. a laser beam was not scattered when transmitted through the liquid) could be observed indicating that no colloidal dispersed particles or micelles were present. The pH of each sample was recorded. The water solubility of the test substance was determined to be 825.3 ± 25.7 g/L (95 % confidence interval) at 20 °C ± 1 °C and 1).
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