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EC number: 228-779-4 | CAS number: 6358-57-2
- 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:
- December from 07 to 11, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- validation of analytical method
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- adopted July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 0.138
- Temp.:
- 20 °C
- pH:
- ca. 9
- Type:
- log Pow
- Partition coefficient:
- -0.86
- Temp.:
- 20 °C
- pH:
- ca. 9
- Details on results:
- The partition coefficient (Pow) of test item in n-octanol - water was determined to be 0.138 ± 0.021 (95 % confidence interval) at 20 °C and pH ~9, which corresponds to log Pow of -0.86 using the shake flask method.
The nine log Pow values were within a range of ± 0.3 log units and thus complied with the guidelines. - Conclusions:
- Pow: 0.138 at 20 °C and pH ca 9
log Pow: -0.86 at 20 °C and pH 9 - Executive summary:
The partition coefficient of the test item was determined using shake-flask method, in accordante with the method and procedures outlined into the OECD guideline 107. The concentration in the aqueous and octanol phases was determined by HPLC-UV validate method. A preliminary assay was run in order to estimate the partition coefficient from the ratio of the solubility of the test item in the pure solvents; the partition coefficient resulted to be 1.12x10 -2, which corresponds to log Pow of -1.95, thus the shake-flask method was used.
Three experiments were carried out applying different solvent ratios.
In the first experiment, the calculated volume ratio was applied, in the second, this ratio is divided by two and in the third, this ratio is multiplied by two. Test temperature was 20 ± 1 °C. Three parallel tests were carried out at all solvent ratios in 15 ml centrifuge tubes. The test vessels were shaken by hand through 180 ° about its transverse axis, hundred times during five minutes.
The partition coefficient (Pow) of test item in n-octanol - water was determined to be 0.138 ± 0.021 (95 % confidence interval) at 20 °C and pH ~9, which corresponds to log Pow of -0.86 using the shake flask method.
The nine log Pow values were within a range of ± 0.3 log units and thus complied with the guidelines.
Conclusion
Pow: 0.138 at 20 °C and pH ca 9
log Pow: -0.86 at 20 °C and pH 9
Reference
Calculated partition coefficient (Pow) and log Pow
Ratio of solvents (n-octanol : Water) |
Partition coefficient |
Log Partition coefficient |
pH conditions |
||
Pow | Mean | Log Pow | Mean | Mean | |
1 : 1 | 0.147 | 0.138 | -0.83 | -0.86 | 9.08 |
0.135 | -0.87 | ||||
0.132 | -0.88 | ||||
1 : 2 | 0.158 | 0.17 | -0.8 | -0.77 | 9.06 |
0.183 | -0.74 | ||||
-* | -* | ||||
2 : 1 | 0.129 | 0.116 | -0.89 | -0.94 | 9.46 |
0.117 | -0.93 | ||||
0.103 | -0.99 | ||||
Mean all with 95 % confidence interval | 0.138 ± 0.021 | - | - | -0.86 | - |
-*outliner data, excluded from the calculation
Measured concentrations
Ratio of solvents (n-octanol : Water) | Measured concentration in | pH | |
n-octanol phase (µg/ml) | aqueous phase (µg/ml) | ||
1 : 1 | 0.46 | 3.09 | 9.09 |
0.45 | 3.31 | ||
0.44 | 3.32 | ||
Mean | 0.45 | 3.24 | |
RSD % | 2 | 4 | - |
Measured quantity of test item (Mo; Mw) | 10.7 µg | 77.7 µg | - |
Total nominal quantity of test item (Ms) | 86.7 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 88.5 µg | ||
Recovery | 102 % | ||
1 : 2 | 0.49 | 3.12 | 9.06 |
0.47 | 2.57 | ||
-* | 2.73 | ||
Mean | 0.48 | 2.81 | |
RSD % | - | 10 | - |
Measured quantity of test item (Mo; Mw) | 7.7 µg | 89.9 µg | - |
Total nominal quantity of test item (Ms) | 86.7 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system |
97.6 µg | ||
Recovery | 113 % | ||
333 % | |||
2 : 1 | 0.49 | 3.79 | 9.46 |
0.51 | 4.36 | ||
0.43 | 4.22 | ||
Mean | 0.48 | 4.12 | |
RSD % | 8 | 7 | - |
Measured quantity of test item (Mo; Mw) | 15.3 µg | 66.0 µg | - |
Total nominal quantity of test item (Ms) | 86.7 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 81.3 µg | ||
Recovery | 94 % |
-*outliner data, excluded from the calculation
Description of key information
log Pow: -0.86 at 20 °C and pH 9
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.86
- at the temperature of:
- 20 °C
Additional information
OECD 107 - Shake flask method
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