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EC number: 947-879-5 | CAS number: 2475232-73-4
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-[3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-2-enoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
- Molecular formula:
- C23H18Cl2F4N2O4
- IUPAC Name:
- 4-[3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-2-enoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
- Test material form:
- solid
- Details on test material:
- Off-white
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.7
- Temp.:
- 20 °C
- pH:
- 6.3
- Details on results:
- The given value is the average of six individual determinations (two per volume of 10 mL, 20 mL or 40 mL of octanol per 20 mL of water).
Applicant's summary and conclusion
- Conclusions:
- The octanol-water partition coefficient of the substance was determined to be 54204 (± 4742) or log Pow = 4.7 at 20 °C using the shake-flask method.
- Executive summary:
The octanol-water partition coefficient was determined under GLP to OECD TG 107 using the shake flask method. Water and 1-octanol, which had been mutually saturated with each other, were used in the study. Accurately known amounts of test substance were weighed into stainless steel centrifuge tubes. Then 10 mL, 20 mL or 40 mL of 1-octanol were added and the substance was dissolved completely in the solvent. Finally 20 mL of water were added, meaning that three octanol/water volume ratios were investigated (two tubes per ratio). The pH of the water was determined and found to be 6.39. After the additition of the water the tubes were sealed and rotated through 180 degrees about their transverse axis one hundred times. The contents wee equilibrated by continuous, gentle shaking for about 24 hours at 20.0 °C (± 1 °C). After equilibration they were centrifuged for 40 minutes at 48000 G in a centrifuge thermostated at 20 °C. An aliquot from each of the clear, separated octanol and water phases was removed by pipette from each tube and analysed by HPLC. The pH of each of the aqueous phases was also determined after centrifugation. The equilibration concentrations of the test substance in either of two,clear separated phases were all less than 5.333 g/L, i.e. less than 0.01 molar. The recovery of test substance in the two phases ranged from 99.9 to 103.0%. The individually determined Pow values ranged from 47903 to 61294, and the log Pow values from 4.68 to 4.79, clearly falling within the requirement of ± 0.3 log units. The average log Pow value was determined to be 4.7 at 20 °C, using the shake-flask method.
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