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EC number: 233-759-3 | CAS number: 10347-88-3
- 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:
- 2017-05-22 to 2017-05-27
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- March 19, 2014
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Version / remarks:
- March 1998
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Changzhou Sunlight Pharmaceutical Co., Ltd., China; 20160505 / 116727
- Expiration date of the lot/batch: May 2017
- Purity test date: 30.01.2017
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at room temperature
- Stability under test conditions: stable - Key result
- Water solubility:
- 4.89 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 3.6
- Remarks on result:
- completely miscible
- Details on results:
- The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with three replicate injections from each.
- Conclusions:
- A water solubility of 4.89 ± 0.285 g/L at 20 °C was determined for the test substance.
- Executive summary:
The water solubility of the test substance was determined with the shake flask method according to OECD guideline 105 and EU method A.6 (TOXICOOP, 2017).
A preliminary test for solubility was carried out as a range finding test for the decision whether the column elution method or the flask method has to be used for the performance of the main test. The solubility of the test item was higher than 10 mg/L, therefore the shake-flask method was used for the main test.
About 2.5 g test item was weighed into stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 100 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded.
The saturated samples were centrifuged at 20 °C, at 13000 rpm (5 min) and the concentration in the clear aqueous phase was determined by HPLC. The samples were diluted 200-fold with ultrapure water before HPLC measuring.
The test substance was measured in the final solution using the previously validated reverse phase HPLC method with UV detection. The water solubility of the test substance was determined to be 4.89 ± 0.285 g/L (95% confidence interval) at 20 °C ± 0.5 °C using the shake-flask method for the performance of the main test.
Reference
Table 1: Regression data
Analytical occasion |
Constant |
X Coefficient |
R. Squared |
26 May 2017 |
295 |
5261 |
1.000 |
Table 2: Results of the determination of water solubility of the test substance
Sampling time |
Measured concentration of test substance (g/L ) |
Measured pH |
|
Test vessels |
Mean |
||
After 24 h |
5.339 |
5.02 |
3.59 |
4.878 |
3.59 |
||
4.843 |
3.58 |
||
After 48 h |
4.845 |
4.83 |
3.60 |
4.885 |
3.60 |
||
4.761 |
3.59 |
||
After 72 h |
4.652 |
4.81 |
3.63 |
4.806 |
3.62 |
||
4.981 |
3.61 |
The test substance concentrations were calculated with the help of the calibration equation given in Table 1.
Measured concentrations of the test substance are summarised in Table 2. The repeatability of the determination was < 15 % and thus within the range required by the guidelines.
Description of key information
A water solubility of 4.89 ± 0.285 g/L at 20 °C was determined for the test substance.
Key value for chemical safety assessment
- Water solubility:
- 4.89 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test substance was determined with the shake flask method according to OECD guideline 105 and EU method A.6 (TOXICOOP, 2017).
A preliminary test for solubility was carried out as a range finding test for the decision whether the column elution method or the flask method has to be used for the performance of the main test. The solubility of the test item was higher than 10 mg/L, therefore the shake-flask method was used for the main test.
About 2.5 g test item was weighed into stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 100 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded.
The saturated samples were centrifuged at 20 °C, at 13000 rpm (5 min) and the concentration in the clear aqueous phase was determined by HPLC. The samples were diluted 200-fold with ultrapure water before HPLC measuring.
The test substance was measured in the final solution using the previously validated reverse phase HPLC method with UV detection. The water solubility of the test substance was determined to be 4.89 ± 0.285 g/L (95% confidence interval) at 20 °C ± 0.5 °C using the shake-flask method for the performance of the main test.
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