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EC number: 436-120-9 | CAS number: 99627-05-1
- 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:
- 2000-06-05 to 2000-08-18
- 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:
- 104 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 2 500 g/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 3
- Details on results:
- The water solubility of the test item was calculated to be 104 g/L (n=6, 2.3 g/L standard deviation) at 20 °C ± 1 °C.
- Conclusions:
- The water solubility of the test item was determined to be 104 g/L at 20 °C and ph = 3.
- Executive summary:
The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis. About 2.5 g test substance was weighed into 10 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the preliminary test. 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 water solubility of the test substance was determined to be 104 g/L at 20 °C ± 1 °C and pH 3.
Reference
Result of the Preliminary Test:
The water solubility of 3,4,5-Trifluorphenol was estimated to be higher than 0.1 g/L.
Result of the Main Test:
The saturation concentration of the test item was estimated using HPLC method. A chromatographic signal occurred at a retention time of about 4.88 min. The linearity of the analytical method was proved in the concentration range from 10 to 130 mg test item. The regression coefficient was determined to be at least 0.99. A typical calibration curve and typical chromatograms are shown in figures 1 to 4. No differences higher than 12 % were found between samples 1, 2, 3, 4, 5 and 6. Therefore the study is considered to be value. Corresponding to the analysis the water solubility of the test item was calculated to be 104 g/L.
Sample No |
Shaking Time at 30 °C [h] |
Initial weight of Test Item [g] |
Initial Water Volume [mL] |
Measured pH after Incubation |
Concentration Test Item found [g/L] |
1 |
72 |
2.69 |
10 |
3 |
104.0 |
2 |
72 |
2.66 |
10 |
3 |
100.5 |
3 |
48 |
2.53 |
10 |
3 |
104.9 |
4 |
48 |
2.63 |
10 |
3 |
102.0 |
5 |
24 |
2.53 |
10 |
3 |
106.1 |
6 |
24 |
2.65 |
10 |
3 |
106.3 |
In conclusion, the water solubility of the test item was calculated to be 104 g/L (n=6, 2.3 g/L standard deviation) at 20 °C ± 1 °C.
Description of key information
The water solubility of the test item was determined to be 104 g/L at 20 °C and ph = 3 (reference 4.8 -1).
Key value for chemical safety assessment
- Water solubility:
- 104 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis (reference 4.8 -1). About 2.5 g test substance was weighed into 10 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the preliminary test. 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 water solubility of the test substance was determined to be 104 g/L at 20 °C ± 1 °C and pH 3.
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