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EC number: 943-893-0 | 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02 Dec - 09 Dec 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Partition coefficient of the test item was calculated based on the ratio of its water solubility and its octanol solubility (based on OECD 105).
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.6. (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: Based on determination of ratio n-octanol solubility vs. aqueous solubility. Solubility determination accordingto OECD guideline 105, determination of octanol solubility based on principle of OECD guideline 105.
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Storage conditions: ambient temperature (10 to 30 °C), dry
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -4.5
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not measured
Reference
Results
Table 1 – Preliminary visual estimation of n-octanol solubility
Amount of test item [mg] |
Added volume of n-octanol [mL] |
Total volume of n-octanol [mL] |
Stirring time [h] |
Appearance of mixture |
13.2 |
10 |
10 |
2 |
Not dissolved |
The solubility of the test item in n-octanol was: csn-octanol< 1.32 g/L (without correction for the purity).
Calculation of Partition Coefficient from Preliminary Test
The calculation was done with the result of the preliminary estimation
of water solubility determined in the study reference [4.8 -1], i.e. cswater=
312 g/L and the csn-octanolvalue above. It was
calculated to be: log POW< -2.4.
Due to the calculations, the partition coefficient was
estimated based on the ratio of the solubilities in water and octanol.
Determination of solubility in n-octanol – Flask Method
The n-octanol solubility was calculated from the measured and unrounded
concentration values (not from the rounded values given in table 2).
Table 2 – n-octanol Solubility Experiments of the Test Item
Experiment |
24 h experiment |
48 h experiment |
72 h experiment |
Blank experiment (72 h) |
Test item amount [mg] |
331.4 |
331.5 |
330.1 |
-- |
Octanol amount [mL] |
50 |
|||
Stirring time at 30 °C [h] |
24 |
48 |
72 |
72 |
Dilution factor |
10 |
|||
Measured concentration [mg/L] |
1.144 |
1.012 |
1.065 |
--/-- |
Mean concentration [mg/L] |
1.142 |
1.009 |
1.064 |
-- |
n-octanol solubility [mg/L] |
11.4 |
10.1 |
10.6 |
-- |
The n-octanol solubility of the test item at 20 °C was determined to be 11 mg/L (± 0.7 mg/L)
Calculation of Partition Coefficient from Individual Solubilities
In the study reference [4.8 -1], the water solubility of the test item
at 20 °C was cswater= 312 g/L. Thus, the
partition coefficient was calculated to be:
log POW= -4.5
Description of key information
log POW= -4.5 at 20 °C (OECD 105, Flask Method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.5
- at the temperature of:
- 20 °C
Additional information
Partition coefficient was determined based on the ratio of the individual solubilities of the test item in water and octanol. The individual octanol solubility was determined using the flask method.
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