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Diss Factsheets
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EC number: 205-623-3 | CAS number: 144-33-2
- 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:
- from 2017-07-13 to 2017-07-18
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 522.98 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 94 h
- Temp.:
- 20 °C
- pH:
- >= 4.57 - <= 4.6
- Conclusions:
- The water solubility of the test item was determined to be 522.98 ± 19.64 g/L. The result is also applicable for the water free form of the test item.
- Executive summary:
A study was conducted according to OECD TG 105 and Regulation (EC) No. 260/2014 method A.6 in order to determine the water solubility of the test item by using shake flask method. The analytical determination was done by using HPLC method (reference 4.8-1). Equilibration time can be considered as approximately 4 days (94 h), as the measured values after 71 h and 94 h did not give significantly different values. All replicates showed good correspondence. Standard deviation of the five flasks which were used for the calculation of water solubility at the plateau was 19.64 g/L, corresponding to a relative standard deviation of 3.8 %. The pH value was 4.57 – 4.60 in all five flasks, the test temperature was in the acceptable range with 19.5 – 19.6 °C over the test duration (measured in the liquid at sampling time points). The water solubility of the test item was determined to be 522.98± 19.64 g/L. The result is also applicable for the water free form of the test item.
Reference
Measurements during Equilibration
The data which was acquired during equilibration time (flask 1A-C, days 1 – 4) is presented in the following table:
Table 3: Equilibration phase
Time [h] (flask) |
Temperature [°C] |
pH* | Dilution factor |
Peak area [mAU*min] |
Measured values [g/L] |
QC recovery [%] |
Difference to previous sample [%] |
23 1A |
20.0 | 4 | 1000 | 4.9378 | 489.43 | 100.5** | - |
5.0515 | 99.8** | ||||||
47 (1B) |
19.9 | 4 | 1000 | 5.2439 | 523.50 | 99.1** | +7.0 |
5.2486 | 98.4** | ||||||
71 (1C) |
20.1 | 4 | 1000 | 5.2695 | 533.11 | 97.7** | +1.8 |
5.2588 | 97.0** | ||||||
94 (1C) |
20.0 | 4 | 2000 | 2.8899 | 517.21 | none*** | -3.0 |
2.8684 | none*** |
* pH during equilibration phase was tested using indicator paper
** Evaluated using calibration 1
*** Evaluated using calibration 2
As no more rising tendency was observed between samplings at 71 h and 94 h, the plateau was considered reached and sampling of flasks 2-6 was performed.
Measurements at Plateau
Table 4: Measurements at the plateau
Flask | Temperature [°C] |
pH* | Dilution factor |
Peak area [mAU-min] |
Measured values [g/L] |
QC recovery [%] |
Blank | 19.7 | 7.89 | 0.0138 | < LOQ | 103.2** | |
0.0118 | 103.2** | |||||
2 | 19.6 | 4.60 | 2000 | 3.0850 | 536.29 | 103.2** |
3.0761 | 103.2** | |||||
3 | 19.6 | 4.57 | 2000 | 3.0921 | 540.30 | 103.2** |
3.1152 | 103.2** | |||||
4 | 19.5 | 4.60 | 2000 | 3.0577 | 533.67 | 103.2** |
3.0732 | 103.2** | |||||
5 | 19.5 | 4.60 | 2000 | 2.8000 | 495.30 | 103.2** |
2.8888 | 103.2** | |||||
6 | 19.6 | 4.59 | 2000 | 2.9276 | 509.36 | 103.2** |
2.9231 | 103.2** |
* pH at the plateau was tested using a calibrated pH meter
** Evaluated using calibration 2
The measurements of flasks 2-6 were used for the calculation of the mean.
Table 5: Measurements used for calculation of solubility
Flask | Concentration [g/L] |
Total Mean [g/L] |
Total Standard Deviation [g/L] (Relative standard deviation [%]) |
2 | 536.29 | 522.98 | 19.64 (3.8) |
3 | 540.30 | ||
4 | 533.67 | ||
5 | 495.30 | ||
6 | 509.36 |
Description of key information
The water solubility of the test item was determined to be 522.98 ± 19.64 g/L.
Key value for chemical safety assessment
- Water solubility:
- 522.98 g/L
- at the temperature of:
- 20 °C
Additional information
A study was conducted according to OECD TG 105 and Regulation (EC) No. 260/2014 method A.6 in order to determine the water solubility of the test item by using shake flask method. The analytical determination was done by using HPLC method (reference 4.8-1). Equilibration time can be considered as approximately 4 days (94 h), as the measured values after 71 h and 94 h did not give significantly different values. All replicates showed good correspondence. Standard deviation of the five flasks which were used for the calculation of water solubility at the plateau was 19.64 g/L, corresponding to a relative standard deviation of 3.8 %. The pH value was 4.57 – 4.60 in all five flasks, the test temperature was in the acceptable range with 19.5 – 19.6 °C over the test duration (measured in the liquid at sampling time points). The water solubility of the test item was determined to be 522.98 ± 19.64 g/L.
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