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EC number: 614-283-9 | CAS number: 68127-59-3
- 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
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 31-Oct-2017 to 14-Dec-2017
- 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:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- reaction mass of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid and (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid
- EC Number:
- 614-283-9
- Cas Number:
- 68127-59-3
- Molecular formula:
- C9H10ClF3O2
- IUPAC Name:
- reaction mass of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid and (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid
- Test material form:
- solid
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 46 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 1 d
- Temp.:
- 20 °C
- pH:
- 4.5
- Remarks on result:
- other: average of the values for different flasks
- Key result
- Water solubility:
- 120 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 1 d
- Temp.:
- 20 °C
- pH:
- 5
- Remarks on result:
- other: average of the values for different flasks
- Key result
- Water solubility:
- 12 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 1 d
- Temp.:
- 20 °C
- pH:
- 7.2
- Remarks on result:
- other: average of the values for different flasks
- Key result
- Water solubility:
- > 500 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 1 d
- Temp.:
- 20 °C
- pH:
- 9.3
- Remarks on result:
- other: average of the values for different flasks
- Details on results:
- The average results have been quoted correct to two significant figures.
Any other information on results incl. tables
Table 1: Solubility using pure water
Sample number | W1 | W3 | W5 | W2 | W4 | W6 |
amount of test item [mg] dispersed in 50.0 ml of water | 12.0 | 12.1 | 12.1 | 12.1 | 12.1 | 12.0 |
number of days at 30.0°C | 3 | 2 | 1 | 3 | 2 | 1 |
number of days at 20.0°C | 1 | 1 | 1 | 1 | 1 | 1 |
centrifugation time [minutes] | 40 | 40 | 40 | 40 | 40 | 40 |
centrifugation speed [G value] | 30000 | 30000 | 30000 | 30000 | 30000 | 30000 |
pH of clear solution | 4.51 | 4.43 | 4.50 | 4.44 | 4.48 | 4.46 |
average pH value | 4.5 |
|||||
water solutbility [mg/l] 1st determination 2nd determination average |
47.182 46.816 46.999 |
43.678 43.238 43.458 |
46.681 46.172 46.427 |
48.027 47.944 47.986 |
42.783 42.836 42.810 |
45.492 45.555 45.524 |
average [mg/l] | 45.628 | 45.440 | ||||
relative standard deviation [%] | 3.76 | 5.10 | ||||
total average [mg/ml] | 45.5 |
|||||
total relative stadard deviation[%] | 4.27 |
Table 2: Solubility using Buffer Solution pH 5.0
sample number | W51 | W52 | W53 |
amount of test item [mg] dispersed in 50.0 ml of buffer pH 5.0 | 12.0 | 12.0 | 12.0 |
number of days at 30.0°C | 3 | 2 | 1 |
number of days at 20.0°C | 1 | 1 | 1 |
centrifugation time [minutes] | 40 | 40 | 40 |
centrifugation speed [G value] | 48000 | 48000 | 48000 |
pH of clear solution | 5.04 | 5.04 | 5.04 |
average pH value | 5.0 |
||
water solubility [mg/l] 1st determination 2nd determination |
123.768 124.352 |
121.676 122.255 |
118.016 117.785 |
average [mg/l] | 12.060 | 121.966 | 117.901 |
total average [mg/l] | 121 |
||
total relative stadard deviation [%] | 2.32 |
Applicant's summary and conclusion
- Conclusions:
- The solubility of the test item has been determined using the flask method in pure water and in aqueous buffer solutions at 20 °C to be:
pure water pH 4.5 46 mg/l
buffered solution pH 5.0 120 mg/l
buffered solution pH 7.2 12 g/l
buffered solution pH 9.3 > 500 g/l - Executive summary:
The solubility of the test item has been determined using the flask method in pure water and in aqueous buffer solutions at 20 °C to be:
pure water pH 4.5 46 mg/l
buffered solution pH 5.0 120 mg/l
buffered solution pH 7.2 12 g/l
buffered solution pH 9.3 > 500 g/l
The result has been quoted correct to two significant figures. The solubility in water has been determined using the flask method. This study waws performed in accordance with the OECD guideline for the testing of chemicals number 105, July 1995 and with the Method A6 Partition Coefficient of Commission Regulation (EC) No 440/2008, dated May 30, 2008. The experiment was perfomred under GLP.
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