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EC number: 850-366-8 | CAS number: 98969-19-8
- 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:
- 31-03-2020 to 05-08-2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Guideline study performed under GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- Determination of the water solubility of the test item employing the flask method with slow stirring approach.The decision of the slow stirring method was made due to the test item properties. The test guideline was consistent with OECD Guideline 105 (water solubility) modified according to Letinski et. al. (2002) and OECD TG 123 (2006).
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Key result
- Water solubility:
- 1.59 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 7.4 - <= 7.5
- Remarks on result:
- other: mean 72, 120, 168, 240, 288 and 336 hour test samples (the maximum difference of the concentrations determined were ≤ 15%).
- Conclusions:
- Interpretation of results: slightly soluble (0.1-100 mg/L)
The test item water solubility was determined to be 1.59 mg/L at pH ca. 7.4 and 20.0 °C. - Executive summary:
The water solubility of the test item was determined according to OECD Method 105 and EU Method A.6, flask method with the slow-stirring adaptation (Letinksi et al 2002) in accordance with GLP. Three containers were filled with 1000 mL of double distilled water. A volume of 482 μL of test item was added to the glass vessels avoiding turbulent mixing of the two phases. The vessels were placed on a magnetic stirring device at 20.2 ± 0.3°C where the content of each vessel was gently stirred at 100 rpm for 72, 120, 168, 240, 288 and 336 hours. In the blank, 1000 mL double distilled water was stirred for 336 hours. After the stirring period, subsamples of 100 μL were taken from via the tap close to the bottom of the water phases thereby avoiding sampling of undissolved test item. The samples were 10-fold further diluted with 50/50 (v/v) acetonitrile/ Milli-Q water to obtain concentration levels within the calibrated range and analysed. The blank sample was diluted in a 1:1 (v:v) ratio with acetonitrile and analysed. The analytical method (UPLC-MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The maximum difference of the concentrations determined in 72, 120, 168, 240, 288 and 336 hour test samples was ≤ 15%. On this basis, the water solubility of the test item is given as the mean value of the analysed concentrations. No test item was detected in the pre-treated sample from the blank water mixture. All acceptability criteria were considered to be met. Under the conditions of this study, the mean water solubility of the test item in double distilled water was determined to be 1.59 mg/L at 20 ± 0.5 °C and pH ca. 7.4.
Reference
Preliminary test:
According to predictions and expert judgement the water solubility of the test item is expected to be < 10 mg/L. Therefore, no preliminary test was performed, and the slow-stirring flask method was chosen for the main study.
Definitive test – Slow Stir Method (main study 1):
The water solubility of the test item in the first main study at 20°C was considered to be 0.805 mg/L. However, the maximum difference of the concentrations determined in three different vessels at different time points was above the target of ≤ 15% (i.e. 79%) described in OECD Guideline 105. Water Solubility. July 27, 1995. On the basis of the observed results, not fulfilling the equilibrium criterion the test was repeated with modified conditions (including test vessel design incorporating a sampling tap).
Definitive test – Slow Stir Method (main study 2):
The maximum difference of the concentrations determined in 72, 120, 168, 240, 288 and 336 hour test samples was ≤ 15%. On this basis, the water solubility of the test item is given as the mean value of the analysed concentrations. No test item was detected in the pre-treated sample from the blank water mixture.
The solubility of the test item in double distilled water was determined to be 1.59 mg/L at 20 ± 0.5 °C and pH ca. 7.4.
Table 1.0. Results of the Slow Stir Method
Stirring time |
Analyzed concentration |
Mean |
Maximum difference |
pH |
72 |
1.65 |
1.59 |
11 |
7.4 |
120 |
1.67 |
7.5 |
||
168 |
1.49 |
7.4 |
||
240 |
1.61 |
7.5 |
||
288 |
1.56 |
7.5 |
||
366 |
1.59 |
7.4 |
Description of key information
Water Solubility: 1.59 mg/L at pH ca. 7.4 and 20 °C, OECD TG 105, flask method: slow-stirring adaptation, 2020
Key value for chemical safety assessment
- Water solubility:
- 1.59 mg/L
- at the temperature of:
- 20 °C
Additional information
Key study : OECD TG 105, 2020 : The water solubility of the test item was determined according to OECD Method 105 and EU Method A.6, flask method with the slow-stirring adaptation (Letinksi et al 2002) in accordance with GLP. Three containers were filled with 1000 mL of double distilled water. A volume of 482 μL of test item was added to the glass vessels avoiding turbulent mixing of the two phases. The vessels were placed on a magnetic stirring device at 20.2 ± 0.3°C where the content of each vessel was gently stirred at 100 rpm for 72, 120, 168, 240, 288 and 336 hours. In the blank, 1000 mL double distilled water was stirred for 336 hours. After the stirring period, subsamples of 100 μL were taken from via the tap close to the bottom of the water phases thereby avoiding sampling of undissolved test item. The samples were 10-fold further diluted with 50/50 (v/v) acetonitrile/ Milli-Q water to obtain concentration levels within the calibrated range and analysed. The blank sample was diluted in a 1:1 (v:v) ratio with acetonitrile and analysed. The analytical method (UPLC-MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The maximum difference of the concentrations determined in 72, 120, 168, 240, 288 and 336 hour test samples was ≤ 15%. On this basis, the water solubility of the test item is given as the mean value of the analysed concentrations. No test item was detected in the pre-treated sample from the blank water mixture. All acceptability criteria were considered to be met. Under the conditions of this study, the mean water solubility of the test item in double distilled water was determined to be 1.59 mg/L at 20 ± 0.5 °C and pH ca. 7.4.
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