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EC number: 613-145-5 | CAS number: 63139-21-9
- 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:
- 28.02. - 16.03.2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 1992
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 1 190 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- >= 29 - <= 77 h
- Temp.:
- 20 °C
- pH:
- 6.2
- Conclusions:
- The water solubility of the test substance was determined to be 1190 mg/L at 20 °C (with correction for the purity).
- Executive summary:
The water solubility of the test item was determined according to OECD 105 and the consolidated version of Guideline 67/548/EEC Annex V (Council Directive 92/69/EEC) method A.6 using the shake flask method with HPLC analysis. For the main test three flasks were prepared with about 246 mg, 274 mg and 277 mg of the test item and 50 mL distilled water. The batches were stirred for different times at 30 °C. After equilibration for 19.5 h at 20 °C aliquots of the saturated aqueous phase were taken and centrifuged. Aliquots of the aqueous phases were filtered and diluted. The concentration of the test item was determined by means ofHPLC. The pH of each sample was recorded. The water solubility of the test item at a temperature of 20 °C was found to be 1190 mg/L ± 14.3 mg/L (with correction of the purity).
Reference
Preliminary Test
Amounts of the test item and water were stirred at room temperature until the mixture appeared dissolved or the water solubility could be estimated to be below 10 mg/L.
Table 1: Appearance of the test mixtures
Amount of the test item in mg | Total volume in mL | Appearance of mixture |
105.0 | 0.1 | undissolved |
0.5 | undissolved | |
1.0 | undissolved | |
2.0 | Undissolved1) | |
10.0 | Undissolved1) | |
100.0 | Undissolved2) | |
11.5 | 100.0 | Dissolved3) |
1): After adding the indicated amount of water, the solution was treated with ultrasound for 2 minutes.
2): After adding the indicated amount of water, the solution was treated with ultrasound for 5 minutes.
3): After adding the indicated amount of water, the solution was treated with ultrasound for 20 minutes and stirred over night.
Flask method
Table 2: Water solubility of the test item - experiments A to D
Experiment | A | B | C | D (blank) |
Amount of test item (mg) | 246.0 | 274.2 | 277.2 | — |
Stirring time at 30 °C (h) | 29 | 53 | 77 | 77 |
pH at 25°C | 6.6 | 6.2 | 6.2 | 6.4 |
aliquot of the flasks(mL) | 0.2 | 0.2 | 0.2 | 0.2 |
end volume (mL) | 1 | 1 | 1 | 1 |
Measured concentration (mg/L) | 240.3 / 239.8 | 239.8/241.7 | 244.0 / 247.1 | — / — |
Mean concentration (mg/L) | 240.0 | 240.8 | 245.5 | — |
Water solubility (mg/L) | 1200 | 1204 | 1228 | — |
Average experiments A to C (without correction for the purity): | 1211 mg/L |
Standard deviation: | 15 mg/L |
Relative standard deviation: | 1.2 % |
The water solubility of the test item increases from flask A to C for about 30 mg/L. Due to the low relative standard deviation, this increase is not related to an increasing tendency of the water solubility according to consolidated version of Guideline 67/548/EEC Annex V (Council Directive 92/69/EEC) method A.6.. Therefore the test has not been repeated.
Description of key information
The water solubility of the test substance was determined to be 1190 mg/L at 20 °C (with correction for the purity) (reference 4.8-1).
Key value for chemical safety assessment
- Water solubility:
- 1 190 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test item was determined according to OECD 105 and the consolidated version of Guideline 67/548/EEC Annex V (Council Directive 92/69/EEC) method A.6 using the shake flask method with HPLC analysis. For the main test three flasks were prepared with about 246 mg, 274 mg and 277 mg of the test item and 50 mL distilled water. The batches were stirred for different times at 30 °C. After equilibration for 19.5 h at 20 °C aliquots of the saturated aqueous phase were taken and centrifuged. Aliquots of the aqueous phases were filtered and diluted. The concentration of the test item was determined by means ofHPLC. The pH of each sample was recorded. The water solubility of the test item at a temperature of 20 °C was found to be 1190 mg/L ± 14.3 mg/L (with correction of the purity) (reference 4.8-1).
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