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EC number: 202-815-9 | CAS number: 100-06-1
- 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:
- 2017-04-24 to 2017-04-28
- 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 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 1 737 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 5 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 6.9 - <= 7.2
- Remarks on result:
- other: Rel. Standard Deviation = 4.4%
- Details on results:
- The concentration measured did not differ for more than 15 % (variation between the 24 hours and 72 hours assay was 10.6 %) and temperatures were kept constant. Thus, all validity criteria were fulfilled.
- Conclusions:
- The water solubility of the test item at 20 °C was found to be 1737 ± 76 mg/L.
- Executive summary:
A study was conducted under GLP-conditions according to OECD Guideline 105 for Testing of Chemicals (adopted 1995) to determine the water solubility of the test item. The test was conducted at 20 °C. The test mixture replicates were shaken at about 30 °C for 24 hours, 48 hours and 72 hours, respectively, using a thermostated incubator (Infors HT Multitron Pro). Afterwards, the flasks were equilibrated for another 24 hours at 20 °C. The solutions were centrifuged at about 2465 g for about 10 minutes. An aliquot of 1 mL of the aqueous phase was taken and diluted to 50 mL with water/acetonitrile (1/1, v/v), resulting in a dilution factor of 50. The final solutions were analysed by HPLC with UV-detection. The solubility of the test item was determined as mean of the 24, 48 and 72 h time points to be 1737 ± 76 mg/L at 20 °C. All validity criteria of the guideline were fulfilled.
Reference
Table 1: Data of the Performance of the Water Solubility Test
Sample No. |
72h – 1 |
72h – 2 |
48h – 1 |
48h – 2 |
24h – 1 |
24h - 2 |
Weighed amount of test item [mg] |
510.13 |
515.32 |
513.69 |
514.57 |
528.51 |
519.18 |
Added volume of water [mL] |
100 |
100 |
100 |
100 |
100 |
100 |
Loading rate [mg/L] |
5101.3 |
5153.2 |
5136.9 |
5145.7 |
5285.1 |
5191.8 |
Agitation time at 30 °C [hours] |
72 |
72 |
48 |
48 |
24 |
24 |
Equilibration time at 20 °C [hours] |
24 |
24 |
24 |
24 |
24 |
24 |
pH value of test item solution |
7.16 |
7.20 |
7.01 |
6.90 |
7.04 |
7.12 |
Table 2: Results of the Water Solubility of the test item
Sample No. |
Shaking Time at 30 °C [hours] |
Measured Concentration in Injected Sample [mg/L] |
Dilution Factor |
Determined Concentration in Water Sample[mg/L] |
Water Solubility Mean Value [mg/L] |
Overall Mean ± Std. Dev. [mg/L] |
Rel. Std. Dev. [%] |
72-1 |
72 |
37.7 |
50 |
1884 |
1842 |
1737± 76 |
4.4 |
72-2 |
72 |
36.0 |
50 |
1800 |
|||
48-1 |
48 |
33.8 |
50 |
1691 |
1702 |
||
48-2 |
48 |
34.3 |
50 |
1713 |
|||
24-1 |
24 |
33.6 |
50 |
1680 |
1665 |
||
24-2 |
24 |
33.0 |
50 |
1651 |
The tabulated values of the samples represent rounded results obtained by calculation using the exact data.
Description of key information
The solubility of the test item was determined to be 1737± 76 mg/L at 20 °C.
Key value for chemical safety assessment
- Water solubility:
- 1 737 mg/L
- at the temperature of:
- 20 °C
Additional information
A study was conducted under GLP-conditions according to OECD Guideline 105 for Testing of Chemicals (adopted 1995) to determine the water solubility of the test item. The test was conducted at 20 °C. The test mixture replicates were shaken at about 30 °C for 24, 48 and 72 hours, respectively, using a thermostated incubator. Afterwards, the flasks were equilibrated for another 24 hours at 20 °C. The solutions were centrifuged at about 2465 g for about 10 minutes. An aliquot of 1 mL of the aqueous phase was taken and diluted to 50 mL with water/acetonitrile (1/1, v/v), resulting in a dilution factor of 50. The final solutions were analysed by HPLC with UV-detection. The solubility of the test item was determined as mean of the 24, 48 and 72 h time points to be 1737± 76mg/L at 20 °C. All validity criteria of the guideline were fulfilled.
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