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EC number: 214-540-1 | CAS number: 1143-72-2
- 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:
- 2016-02-08 to 2016-02-10
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.8
- Temp.:
- 23 °C
- pH:
- ca. 5.3
- Conclusions:
- The partition coefficient log POW of the test item at 23 °C was determined to be 2.8.
- Executive summary:
A study was conducted in accordance with OECD 107 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method. The partition coefficient POW is defined as the ratio of the equilibrium concentrations of a dissolved test item in the two-phase system consisting of n-octanol and water. The partition coefficient POW is dimensionless and usually given in the form of its logarithm to base ten. The partition coefficient (n-octanol/water) of the test item was determined at room temperature (23°C) to be: log POW = 2.8.
Reference
Calculation of partition coefficient
The program KOWWIN was used to calculate the partition coefficient. The calculated value was 2.9, therefore the shake flask method was used.
Shake Flask Method
A specified test item amount was dissolved in 100 mL n-octanol (saturated with distilled water). 10 mL of this solution were added to 6 different flasks (experiment 1A, 1B, 2A, 2B, 3A, 3B). Then, different amount of n-octanol (saturated with distilled water) and 20 mL distilled water (saturated with n-octanol) were added to the flasks. All mixtures were shaken for several minutes at 23 °C. After phase separation, each phase was centrifuged (30 min at 23 °C and 15000 rpm). Analytical samples were prepared and concentrations of the test item in the different phases were determined by HPLC.
Table 1 – Test conditions and results of shake flask method
Experiment | 1A | 1B | 2A | 2B | 3A | 3B |
Test item amount [mg] | 18.0 | |||||
Concentration of the stock solution [mg/L] | 180 | |||||
Volume of added stock solution [mL] | 10 | |||||
Volume of added n-octanol [mL] | 0 | 10 | 30 | |||
Volume of added distilled water [mL] | 20 | |||||
pH of aqueous phase at 23 °C | 5.3 | 5.4 | 5.3 | 5.4 | 5.3 | |
Measured concentration in aqueous phase [mg/L] | 0.13 | 0.12 | < 0.08 | < 0.08 | ||
Mean concentration in aqueous phase [mg/L]* | 0.25 | 0.24 | < 0.16 | < 0.16 | ||
Measured concentration in n-octanol phase [mg/L] | 1.66 | 1.65 | 0.77 | 0.78 | 0.35 | 0.32 |
Mean concentration in n-octanol phase [mg/L]* | 166.0 | 164.6 | 77.2 | 78.3 | 33.7 | 32.3 |
*for mean concentration the sample preparation (dilution) is taken into account
Given values of the concentrations in the aqueous and n-octanol phases are mean values of two measurements. The partition coefficients below are calculated from the measured and unrounded concentration values and not from the rounded values given in Table 1.
Table 2 – Partition Coefficients of shake flask method
Experiment | POW | log POW | Average log POW |
1A | 676.7 | 2.8 | 2.8 |
1B | 696.2 | ||
2A | >487.6 | >2.7 | >2.7 |
2B | >494.1 | ||
3A | >212.5 | >2.3 | >2.3 |
3B | >204.2 |
In the experiments 2A to 3B the test item concentration in the aqueous phase was below the detection limit. Therefore, the partition coefficient determined in 1A and 1B were taken as the final result.
The partition coefficient log POW of the test item at 23 °C was determined to be 2.8.
Description of key information
The partition coefficient log POW of the test item at 23 °C was determined to be 2.8.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.8
- at the temperature of:
- 23 °C
Additional information
A study was conducted in accordance with OECD 107 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method. The partition coefficient POW is defined as the ratio of the equilibrium concentrations of a dissolved test item in the two-phase system consisting of n-octanol and water. The partition coefficient POW is dimensionless and usually given in the form of its logarithm to base ten. The partition coefficient (n-octanol/water) of the test item was determined at room temperature (23°C) to be: log POW = 2.8.
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