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EC number: 268-040-3 | CAS number: 67990-17-4
- 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:
- 2018-08-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- adopted on July 27, 1995
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- flask method
- Specific details on test material used for the study:
- - CAS number: 67990-17-4
- Key result
- Water solubility:
- 443.4 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 10 min
- Temp.:
- 20 °C
- pH:
- 13.5
- Remarks on result:
- other: water solubility = 443.4 +/- 21.2 g/L
- Details on results:
- The individual results differed by 4.8 % for water solubility, which makes tests correct.
- Conclusions:
- The water solubility of the test item was measured according to OECD TG 105 (flask method) to be 443.4 +/- 21.2 g/L.
- Executive summary:
To determine the water solubility of the test item a study according to OECD TG 105 (flask method) was carried out. A preliminary test was made to choose the appopriate method for this determination. In the main test, 9 flasks were prepared. In each flask, about 3 g of the test item were added to 2.5 mL of water. These solutions were shaken for 24, 48 and 72 hours at 20 °C. After each 24 hours interval, 3 flasks were put aside. The samples were filtered through a 0.45 µm filter. The last filtrated solution samples were analysed with HPLC-method. The individual results differed by 4.8% and hence, the tests are regarded correct. The water solubility of the test item was determined to be 443.4 +/- 21.2 g/L.
Reference
Table: Water solubility of the test item
Flask | Shaking duration (h) | Weighted sample in g/2.5 mL | Sum of peak areas of the signals | Water solubility of Mercerol B g/L | Average g/L | Average g/L | Standard deviation |
WAT-1 | 24 | 3.3174 | 785716 | 436.5 | 450.8 | 443.4 | 21.2 |
WAT-2 | 24 | 3.4374 | 838031 | 455.6 | |||
WAT-3 | 24 | 3.2628 | 850969 | 460.3 | |||
WAT-4 | 48 | 3.1413 | 679992 | 398.1 | 419.5 | ||
WAT-5 | 48 | 1.1374 | 753898 | 424.9 | |||
WAT-6 | 48 | 3.3063 | 782529 | 435.4 | |||
WAT-7 | 72 | 3.0044 | 808479 | 444.8 | 459.9 | ||
WAT-8 | 72 | 3.2695 | 871819 | 468.0 | |||
WAT-9 | 72 | 3.2821 | 868554 | 466.8 |
Description of key information
The water solubility of the substance was measured according to OECD TG 105 (flask method) to be 443.4 g/L at 20 °C and pH = 13.5.
Key value for chemical safety assessment
- Water solubility:
- 443.4 g/L
- at the temperature of:
- 20 °C
Additional information
Key study
To determine the water solubility of the test item a study according to OECD TG 105 (flask method) was carried out. A preliminary test was made to choose the appopriate method for this determination. In the main test, 9 flasks were prepared. In each flask, about 3 g of the test item were added to 2.5 mL of water. These solutions were shaken for 24, 48 and 72 hours at 20 °C. After each 24 hours interval, 3 flasks were put aside. The samples were filtered through a 0.45 µm filter. The last filtrated solution samples were analysed with HPLC-method. The individual results differed by 4.8% and hence, the tests are regarded correct. The water solubility of the test item was determined to be 443.4 +/- 21.2 g/L at 20 °C and pH = 13.5 (Infrapark Baselland AG, 2018).
Supporting information
The water solubility was calculated using MPBVP v1.43 as part of EPISuite v4.11 from US Environmental Protection Agency. Using WSKOW v1.42 the water solubility of the test item was calculated to be 1000 g/L at 25 °C.
Conclusion
Based on the most reliable information (Infrapark Baselland AG, 2018) the water solubility of the test item is considered to be 443.4 g/L at 20 °C and pH = 13.5. This result is supported by a QSAR prediction using WSKOW v1.42 (EPISuite v4.11) as the water solubility of the test item at 25 °C was calculated to be 1000 g/L.
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