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EC number: 617-365-2 | CAS number: 82597-69-1
- 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
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 23-01-2018 to 27-03-2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- This study was conducted in a facility operating to Good Laboratory Practice within the National GLP Compliance Monitoring Authority program, but the study report has not been audited by the Quality Assurance Unit.
- Type of method:
- flask method
Test material
- Reference substance name:
- Potassium (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate and Potassium (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
- Cas Number:
- 82597-69-1
- Molecular formula:
- C9 H10 Cl F3 O2 . K
- IUPAC Name:
- Potassium (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate and Potassium (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
- Test material form:
- solid
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- > 500 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 9.9
Any other information on results incl. tables
measurement in pure water: Two independant tests were performed:
- Test 1: successive addition of the substance in 2.0 mL water (0.0281 g; 0.0433; 0.1478 g; 0.1454 g; 0.2118 g; 0.3061 g; 0.3364 g). The total amount of susbtance is the tube was 1.2189 g in 2.0 mL of pure water, and all the material was disolved (clear solutionby visual observation). Therefore the water solubility exceeds 500 g/L. The pH of the solution was measured and found to be 9.9.
- Test 2: 0.6274 g of test item was added in 1.0 mL of pure water. All the material was disolved (clear solution by visual observation). Therefore, the water solubility exceeds 500 g/L. The pH of the solution was measured and found to be 9.9.
Solubility in solution pH = 5:
For each of the 3 expriments, two dispersions were prepared by adding test item directly into 15 ml centrifuge tubes. The test item was then dissolved by adding 5.0 mL of water, dispersions were stirred on vertex mixer and the clear solution was obtained. The pH of each dispersion was adjusted by adding 0.5 M hydrochloric acid dropwise and about 1 mg of test item until acidic pH 5 was reached with excess solid residue still present.
Amount of test item (mg) dispersed in 5.0 mL water | 28.2 | 26.9 | 36.5 | 33.5 | 26.4 | 32.3 |
days at 30.0 °C | 3 | 2 | 1 | 3 | 2 | 1 |
days at 20.0 °C | 1 | 1 | 1 | 1 | 1 | 1 |
centrifugation time (min) | 60 | 60 | 60 | 60 | 60 | 60 |
centrifugation speed (G values) | 4200 | 4200 | 4200 | 4200 | 4200 | 4200 |
pH of clear solution | 5.14 | 5.16 | 5.16 | 5.09 | 5.13 | 5.12 |
average pH value | 5.1 | |||||
water solubility (mg/L) 1st determination 2nd determination average |
174.503 174.329 174.416 |
172.568 172.551 172.560 |
169.081 169.159 169.120 |
170.684 170.842 170.763 |
166.755 166.105 166.430 |
161.826 161.900 161.863 |
total average (mg/L) | 170 |
|||||
total relative standard deviation (%) | 2.6 |
Solubility in solution pH = 7:
0.8635 g of the test item was added into a 15 ml centrifuge tube, added 5.0 ml of pure water. The dispersion was stirred on vertex mixer and solution was found to be clear. The pH was measured and found to be about pH 9.1. Then added two aliquots of 0.2 ml and 1.0 ml of 2 M hydrochloric acid solution into same test tube. The dispersion was stirred on vertex mixer and observed excess solid. The pH values were measured after each addition and found to be 7.8 and 7.0, respectively. Then further added 0.1 ml of 2 M hydrochloric acid solution, stirred on vertex mixer and observed excess solid. The pH value was measured and found to be 7.0. The dispersion was then equilibrated by continuous gentle shaking at 20.0 ±0.5 °C in a thermostatically controlled water bath for at least twenty-four hours. The dispersion was centrifuged for 1 hour at 2800 G, thermostated at 20 °C. The centrifuge tube contained a clear, aqueous solution with undissolved, excess test item still present in the bottom. An aliquot from clear, centrifuged, saturated solution was removed and analyzed by HPLC (conentration found to be 9.5 g/L). The pH of the clear centrifuged solution was measured and recorded as 7.0.
Solubility in solution pH = 9:
1.5263 g of the test item was added into a 15 ml centrifuge tube, added 5.0 ml of pure water. The dispersion was stirred well on vertex mixer and solution was found to be clear. The pH of the dispersion was measured and found be 9.9. Then, added 1.0990 g of test item, stirred on vertex mixer and observed clear solution. The pH of the dispersion was measured and found be about 10. Then added 0.1 mL of 2 M hydrochloric acid solution into same test tube. The dispersion was stirred on vertex mixer and observed excess solid. The pH of the dispersion was measured and found be 8.7. Then two further amounts tests item were added (0.5238 g and 1.0624 g) into same test tube, stirred on vertex mixer and observed to be cloudy. The pH values were measured after each addition and it found to be 8.8 and 9.0, respectively. Then added 1.0354 g of test item, stirred on vertex mixer and observed slight excess solid. The pH of the dispersion was measured and found be about 9.3. Then further added about 0.01 ml of 2 M hydrochloric acid solution, stirred on vertex mixer and observed excess solid. The pH value was measure and found to be 9.01. The dispersion was then equilibrated by continuous gentle shaking at 20 ± 0.5 °C in a thermostatically controlled water bath for at least twenty-four hours. The dispersion was centrifuged for 1 hour at 2800 G, thermostated at 20 °C. The centrifuge tube contained a clear, aqueous solution with undissolved, excess test item still present in the bottom. An aliquot from clear, centrifuged, saturated solution was removed and analyzed by HPLC (conentration found to be > 500 g/L). The pH of the clear centrifuged solution was measured and recorded as 9.0.
Applicant's summary and conclusion
- Conclusions:
- The solubility of the substance in water has been determined using the flask method at 20 °C to be > 500 g/L (pH = 9.9).
- Executive summary:
The solubility of the substance has been determined using the flask method in pure water and in aqueous buffer solutions at 20 °C to be:
In pure water (pH = 9.9): > 500 g/L
buffered solution (pH = 5.1): 0.170 g/L
buffered solution (pH = 7.0): 9.5 g/L
buffered solution (pH = 9.0): > 500 g/L
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