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EC number: 250-391-9 | CAS number: 30925-07-6
- 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:
- from 2018-02-06 to 2019-03-25
- 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:
- 1 005.8 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 5 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 19.5 °C
- pH:
- 1.6
- Conclusions:
- The water solubility of the test item at 19.5 °C and pH = 1.6 was determined to be 1005.8 ± 20.8 mg/L.
- Executive summary:
The water solubility was determined according to OECD 105 and Regulation (EC) No. 440/2008 method A.6 using the shake flask method with HPLC analysis. The solubility of the test item was estimated to be < 1 g/L in the solubility pre-test. According to the guideline, the flask method was used for the determination of the solubility of the test item in water. 5 g/L nominal concentration was chosen. Three flasks 1A - 1C with the same loading rate were used during equilibration. Seven vessels (flasks blank, 1C (for the sampling point 72 h) and 2 – 6) were set onto the shaking apparatus immediately. After 24 h, flask 1B (for the sampling point 48 h) and after 48 h, flask 1A (for the sampling point 24 h) were set on the shaker and all flasks were shaken for further 24 h at room temperature (20.0 ± 5 °C). Then, flasks 1A - 1C were taken from the shaker, samples were taken, membrane filtered and analysed. The samples were diluted before the analysis (two dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 1005.8 ± 20.8 mg/L (95 % confidence interval) at 19.5 °C (pH = 1.6).
Reference
Preliminary test
Preliminary Study
Added volume (mL) | 0.1 | 0.5 | 1 | 2 | 10 |
Approx. solubility (g/L) | >1000 | 1000 - 200 | 200 - 100 | 100 - 50 | 50 - 10 |
Dissolution | no | no | no | no | no |
As undissolved particles were visible in the
lowest concentration (10 mL H2O), the experiment was continued. 100.2 mg
of the test item were mixed with 100 mL water and the mixture was shaken
for 94 hours at room temperature. Undissolved particles could be
detected in the flask.
Additionally, 10.0 mg of the test item were mixed with 1000 mL water and
the mixture was shaken for 22 hours. After this time, no undissolved
particles could be detected in the flask; therefore, solubility was
estimated as < 1 g/L.
Main test
The measurements on day 3 (flasks 2 – 6) were included in the calculation of the solubility of the test item in water.
Measurements used for calculation of solubility
Flask | Temperature (°C) | pH* | Dilution factor | Peak area (mAU*min) | Measured values*** (mg/L) | Total mean (mg/L) | Total SD (mg/L) Relative SD (%) |
Blank | 20.0 | 7** | - | n.a. |
- | ||
2 | 19.5 | 1.58 | 20 | 16.4283 15.9375 |
1035.5 | 1005.8 | 20.8 2.1 |
3 | 19.5 | 1.64 | 20 | 15.3602 15.2777 |
980.5 | ||
4 | 19.5 | 1.63 | 20 | 15.6986 15.9192 |
1011.7 | ||
5 | 19.5 | 1.62 | 20 | 16.0523 15.4610 |
1008.4 | ||
6 | 19.5 | 1.63 | 20 | 15.5639 15.4631 |
992.9 |
*pH at the plateau was tested using a
calibrated pH meter
** tested with pH paper
***evaluated using sensitivity correction 96.1 %
n.a. no signal was detected
SD = Standard Deviation
Mean at the plateau is 1005.8 ± 20.8 mg/L.
Description of key information
The water solubility of the test item at 19.5 °C and pH = 1.6 was determined to be 1005.8 ± 20.8 mg/L.
Key value for chemical safety assessment
- Water solubility:
- 1 005.8 mg/L
- at the temperature of:
- 19.5 °C
Additional information
The water solubility was determined
according to OECD 105 and Regulation (EC) No 440/2008 method A.6 using
the shake flask method with HPLC analysis (reference 4.8-1). The
solubility of the test item was estimated to be < 1 g/L in the
solubility pre-test. According to the guideline, the flask method was
used for the determination of the solubility of the test item in water.
5 g/L nominal concentration was chosen.
Three flasks 1A - 1C with the same loading rate were used during
equilibration. Seven vessels (flasks blank, 1C (for the sampling point
72 h) and 2 – 6) were set onto the shaking apparatus immediately. After
24 h, flask 1B (for the sampling point 48 h) and after 48 h, flask 1A
(for the sampling point 24 h) were set on the shaker and all flasks were
shaken for further 24 h at room temperature (20.0 ± 5 °C). Then, flasks
1A - 1C were taken from the shaker, samples were taken, membrane
filtered and analysed. The samples were diluted before the analysis (two
dilutions). The pH of each sample was recorded. The water solubility of
the test substance was determined to be 1005.8 ± 20.8 mg/L (95 %
confidence interval) at 19.5 °C (pH = 1.6).
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