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EC number: 607-240-0 | CAS number: 23511-73-1
- 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:
- 22 December 2008 to 17 February 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Due to the experimental difficulties for low solubility measurements, the final result is an estimation. For more information see "Any other information on results incl. tables".
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Food and Consumer Product Safety Authority, Den Haag, Netherlands
- Type of method:
- flask method
- Key result
- Water solubility:
- < 1 mg/L
- Temp.:
- 19.8 °C
- pH:
- 6.7
Reference
Preliminary test
The content of test substance dissolved in the water sample was 1.8 mg/L. This result was obtained after applying an alternative sample treatment, i.e. phase separation by standing instead of centrifugation. The latter was found to be not a suitable technique to remove excess test substance from the water solution; whilst test substance was detected at low concentration after the second centrifugation step there was no test substance detected after the third centrifugation step. This is an indication for adsorption of the test substance to the walls of the centrifugation tube, which is expected based on the chemical structure of the test substance.
Main study
The results for the samples taken at 24, 48 and 72 hours are given in the following tables.
Main study - water solubility of the test substance: phase separation after standing
Stirring time |
Analysed concentration |
Mean |
MD |
pH |
[hours] |
[mg/L] |
[mg/L] |
[%] |
|
24 |
1.38 |
2.38 (1) |
117 (1) |
6.7 |
1.19 |
||||
1.23 |
||||
48 |
1.83 |
2.94 (2) |
84.7 (2) |
6.7 |
2.30 |
||||
2.51 |
||||
72 |
3.17 |
6.7 |
||
3.28 |
||||
4.52 |
(1) Mean of all analysed concentrations after 24, 48 and 72 hours of stirring
(2) Mean of all analysed concentrations after 48 and 72 hours of stirring
Main study - water solubility of the test substance: centrifugation
Stirring time |
Centrifugation steps |
Analysed concentration |
Mean |
MD |
pH |
[hours] |
|
[mg/L] |
[mg/L] |
[%] |
|
24 |
1 |
0.225 |
0.26 (1) |
30.8 (1) |
6.7 |
2 |
0.0749 |
||||
48 |
1 |
0.307 |
0.28 (2) |
21.9 (2) |
6.7 |
2 |
0.0924 |
||||
72 |
1 |
0.246 |
6.7 |
||
2 |
0.120 |
(1) Mean of the analysed concentrations after 24, 48 and 72 hours of stirring and 1x centrifugation.
(2) Mean of the analysed concentrations after 48 and 72 hours of stirring and 1x centrifugation.
After the respective stirring times, the test substance appeared to be uniformly spread over the test solution as small (floating) droplets with little tendency to move towards the surface upon standing. Care was taken to collect samples a distance away from clearly visible droplets, but the spread in the results indicates that this approach was not successful. Also, a tendency to increasing values was observed, suggesting that the water solubility improved with time. However, it might also be possible that longer stirring caused a finer distribution of the droplets in the solution, resulting in an overestimation of the dissolved amount of test substance.
Since the maximum difference (MD) of the mean concentrations determined in the 24, 48 and 72 hour test samples as well as the 48 and 72 hour samples was > 15%, the sample treatment using phase separation after standing is not considered suitable to remove excess test substance from the solution.
No test substance was detected in the pre-treated samples from the blank water mixture.
Centrifugation did result in much lower values for the water solubility of the test substance as the phase separation treatment, however, after one centrifugation step there was greater consistency in the data from the sampling moments indicating that the water solubility does not increase with time. A following centrifugation step resulted in a drastic decrease in test substance concentration in the water sample indicating that test substance adsorbs to the walls of centrifugation vessels. Therefore, this technique is considered not suitable to remove excess test substance from the solution.
Since the test substance is a liquid, filtration is not an option to separate excess test substance from the aqueous test solution.
A theoretical estimation of the water solubility of test item by calculation (WSKOWWIN, v1.41, U.S. Environmental Protection Agency, 2000) resulted in a value of 0.95 mg/L.
In conclusion, centrifugation and phase separation after standing proved to be no suitable sample treatment methods to remove excess test sample from the aqueous test solutions. However, both techniques resulted in a water solubility value in the low mg/L concentration range which was expected based on the chemical structure of the test substance. An estimation of the water solubility of the test substance by calculation resulted in a value of 0.95 mg/L. Based on all these findings it was concluded that the water solubility of the test substance is < 1 mg/L.
Conclusion
The flask method was chosen for the determination of the water solubility of the test item. The water solubility of the test substance at 19.8°C ± 0.6°C was estimated to be < 1 mg/L. The pH of the aqueous sample after 72 hours stirring was 6.7.
Description of key information
< 1 mg/L at 19.8 ± 0.6 °C and pH 6.7 (OECD Guideline 105, flask method)
Key value for chemical safety assessment
Additional information
Due to the experimental difficulties for low solubility measurements, several adaptation of the flask method were tested but did not result as suitable for the determination of the water solubility of the test substance. The results were however in a low mg/L concentration range, which was expected based on the chemical structure of the test substance.
An estimation of the water solubility was performed by means of a QSAR model (WSKOWWIN, v1.41, U.S. Environmental Protection Agency, 2000) resulting in a value of 0.95 mg/L.
Based on all these findings it was concluded that the water solubility of the test substance is < 1 mg/L.
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