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Diss Factsheets
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EC number: - | CAS number: -
- 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
- Study period:
- 03.05.2018 - 24.09.2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Remarks:
- Slow-stir modification, analytical method: UV/VIS absorption at 572 nm
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- Slow-stir modification of the shake flask method
- Deviations:
- no
- Principles of method if other than guideline:
- The test is based on the partition of the test substance into two nearly immiscible phases (water and octanol) at 25 °C and subsequent determination of the
concentration of the test substance in both phases. The slow-stir modification of the equilibration step was applied. Essential requirements of the established
OECD method were taken into account as far as applicable. The partition coefficient determined by this method is calculated from the ratio of concentrations
of the test substance in either phase. - GLP compliance:
- not specified
- Other quality assurance:
- other: Laboratory accredited by DAkkS
- Type of method:
- slow-stirring method
- Partition coefficient type:
- octanol-water
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 2
- Temp.:
- 25 °C
- Remarks on result:
- other: Start in Octanol.
- Remarks:
- When starting in water: log Pow=0,2
- Details on results:
- Comparing the two starting conditions, start in octanol and start in water, it is clearly shown that test results are different.
log Pow (start in octanol): >2
log Pow (start in water): 0,2
Any other information on results incl. tables
Flask 1 Start in octanol |
Flask2 Start in octanol |
Flask 3 Start in octanol |
Flask 4 Start in water |
Flask 5 Start in water |
Start 6 Start in water |
|
Partition coefficient log Pow |
>1,5 | >1,0 | >1,4 | 0,33 | 0,12 | -0,08 |
|
Applicant's summary and conclusion
- Conclusions:
- Comparing the two starting conditions (start in octanol and start in water) it is clearly shown that test results are different.
„start in octanol“, the entire sample weight remains in the octanol phase. Obviously a diffusion mechanism into the water phase doesn’t exist, most probably
because the coexisting neutral compounds (acid and amine) don’t tend to move into the octanol-water interface where the mandatory proton transfer might take place. Therefore the experimental partition coefficient depends on the chosen sample weight and the octanol volume only. Log Pow can be calculated to be > 2.
In contrast, the diffusion of the test substance from the aqueous phase into octanol is easy because the surface-active properties lead to an accumulation
of the ionic compound in the octanol-water interface. The poor recovery rates when startin in water indicate that more than half of the sample amount is
concentrated in the interface. The calculated mean values for these flasks are 1,4 (Pow) and 0,2 (log Pow), respectively.
An important consequence of these conclusions is that molecules which have diffused from the aqueous phase into octanol won’t find their way back.
That means that none of the two starting conditions leads to a dynamic equilibrium which is essential for an experimental determination of partition coefficients.
Therefore the partition coefficients found in this test should be regarded as an estimate, not as a key figure of the test substance.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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