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EC number: 849-975-1 | CAS number: -
- 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:
- 09 October 2006 and 20 November 2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 1992
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Column elution and shake flask methods
- Key result
- Water solubility:
- 1.8 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 6
- Details on results:
- During the preliminary test the water solubility of the test material at room temperature was estimated by a simplified flask method to be lower than the smallest calibration point of 1.608 µg/mL. Therefore, at first, the column elution method was used for the performance of the main test.
During the main test six samples have been analysed in the first run (0.52 mL/min) and six samples during the second run (0.26 mL/min), each with a sampling interval of 1 h. Total elution time was about 94 h. The sample measurement was performed by HPLC.
The concentration of the test material was found to be about 25 mg/L with a flow of 0.52 mL/min and about 68 mg/L with half the flow (0.26 mL/min).
The obtained values are above the limits of the column elution method. Therefore the second main test was performed using the shake flask method.
For this, the concentrations were determined after a shaking time of 24 h, 48 h and 72 h at 30 °C followed by an equilibration for another 24 h at 20 °C. The measured values differed by less than 15 %. Therefore the study is considered to be valid. The water solubility was found to be 1.8 mg/L using the shake flask method.
Additionally the water solubility was estimated by a model calculation based on the molecular formula to be 0.001 mg/L.
The model calculation and the result obtained during the preliminary test as well as the observations made during the preliminary test indicate that the results obtained using the flask shaking method is more reliable than the results obtained using the column elution method.
The higher water solubility obtained using the column elution method might be caused by microscopic particles of the test material because the eluted samples were not filtered prior to analysis. It could also be caused by a component of the test material that has accumulated during the elution and has the same retention time.
Column Elution Method
The R² fit was 1.0000 (optimum). This reflects the linearity of the HPLC system within the calibration range of 0.4829 mg/L to 112.91 mg/L of the test material.
Shake Flask Method
The R² fit was 1.0000 (optimum). This reflects the linearity of the HPLC system within the calibration range of 0.3698 mg/L to 18.49 mg/L of the test material.
Under the conditions of the study the water solubility of the test material at 20 °C was determined to be 1.8 mg/L using the shake flask method. - Conclusions:
- Under the conditions of the study the water solubility of the test material at 20 °C was determined to be 1.8 mg/L using the shake flask method.
- Executive summary:
The water solubility of the test material was assessed according to OECD Test Guideline 105 and EU Method A.6. and in compliance with GLP.
During the preliminary test the water solubility of the test material at room temperature was estimated by a simplified flask method to be lower than the smallest calibration point of 1.608 µg/mL. Therefore, at first, the column elution method was used for the performance of the main test.
During the main test six samples have been analysed in the first run (0.52 mL/min) and six samples during the second run (0.26 mL/min), each with a sampling interval of 1 h. Total elution time was about 94 h.
The concentration of the test material was found to be about 25 mg/L with a flow of 0.52 mL/min and about 68 mg/L with half the flow (0.26 mL/min).
The obtained values are above the limits of the column elution method. Therefore the second main test was performed using the shake flask method.
For this, the concentrations were determined after a shaking time of 24 h, 48 h and 72 h at 30 °C followed by an equilibration for another 24 h at 20 °C. The measured values differed by less than 15 %. Therefore the study is considered to be valid.
Under the conditions of the study the water solubility of the test material at 20 °C was determined to be 1.8 mg/L using the flask shaking method.
Reference
Water Solubility Results Using the Column Elution Method
Experiment No. |
Flow rate [mL/h] |
Sample No. |
Concentration analysed [µg/L] |
Water solubility calculated [mg/L] |
pH |
|
1 |
31 |
1 |
20.28 |
25.041 SD = ± 5.30 |
48.61 SD = ± 24.08 |
6.22 |
2 |
18.34 |
6.49 |
||||
3 |
28.15 |
6.26 |
||||
4 |
29.53 |
6.41 |
||||
5 |
0.23* |
6.30 |
||||
6 |
28.91 |
6.21 |
||||
2 |
16 |
7 |
61.67 |
68.523 SD = ± 9.37 |
6.27 |
|
8 |
73.38 |
6.35 |
||||
9 |
80.26 |
6.29 |
||||
10 |
54.46 |
6.40 |
||||
11 |
73.71 |
6.31 |
||||
12 |
66.03 |
6.25 |
SD = Standard deviation
* Outlier not used for the calculation
Data of the Performance Using the Flask-Shaking Method
Sample solution No. |
1 |
2 |
3 |
4 |
5 |
6 |
Weighed sample of the test material [mg] |
15.14 |
15.59 |
15.88 |
16.55 |
18.82 |
18.31 |
Added volume of water [mL] |
25 |
25 |
25 |
25 |
25 |
25 |
Agitation time at 30 °C [h] |
72 |
72 |
48 |
48 |
24 |
24 |
Equilibration time at 20 °C [h] |
24 |
24 |
24 |
24 |
24 |
24 |
pH values of test material solution |
5.32 |
5.36 |
5.30 |
5.22 |
5.13 |
5.06 |
Water Solubility Results
Sample No. |
Shaking time at 30 °C |
Concentration analysed [mg/L] |
Concentration calculated [mg/L] |
Water solubility calculated (rounded) [mg/L] |
1 |
72 |
1.655 |
1.65 |
1.80 SD = 0.25 |
2 |
72 |
2.226 |
2.23 |
|
3 |
48 |
1.733 |
1.73 |
|
4 |
48 |
0.948 |
0.95* |
|
5 |
24 |
1.803 |
1.80 |
|
6 |
24 |
1.587 |
1.59 |
The saturation mass concentration is calculated from the bold values.
SD = Standard deviation
* Outlier not used for calculation
Description of key information
Under the conditions of the study the water solubility of the test material at 20 °C was determined to be 1.8 mg/L using the shake flask method.
Key value for chemical safety assessment
- Water solubility:
- 1.8 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test material was assessed according to OECD Test Guideline 105 and EU Method A.6. and in compliance with GLP. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
During the preliminary test the water solubility of the test material at room temperature was estimated by a simplified flask method to be lower than the smallest calibration point of 1.608 µg/mL. Therefore, at first, the column elution method was used for the performance of the main test.
During the main test six samples have been analysed in the first run (0.52 mL/min) and six samples during the second run (0.26 mL/min), each with a sampling interval of 1 h. Total elution time was about 94 h.
The concentration of the test material was found to be about 25 mg/L with a flow of 0.52 mL/min and about 68 mg/L with half the flow (0.26 mL/min).
The obtained values are above the limits of the column elution method. Therefore the second main test was performed using the shake flask method.
For this, the concentrations were determined after a shaking time of 24 h, 48 h and 72 h at 30 °C followed by an equilibration for another 24 h at 20 °C. The measured values differed by less than 15 %. Therefore the study is considered to be valid.
Under the conditions of the study the water solubility of the test material at 20 °C was determined to be 1.8 mg/L using the flask shaking method.
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