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EC number: 303-757-8 | CAS number: 94213-53-3
- 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:
- From January 31st to February 02nd, 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
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- adopted July 27, 1995
- 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:
- 0.015
- Temp.:
- 20 °C
- pH:
- 6
- Details on results:
- The partition coefficient (Pow) of test item in n-octanol - water was determined to be 0.0150 ± 0.0028 (95 % confidence interval) at 20 °C and pH ca 6.15; the related log Pow was calculated to be -1.84 using the shake flask method.
Quality criteria were met as values of log Pow derived from individual measurements fell within a range of ± 0.3 log units. - Conclusions:
- log Pow: -1.84 at 20 °C and pH 6
- Executive summary:
The partition coefficient was determined by flask method, according to the OECD guideline 107. The maximum concentration in either phase was less than 0.01 mol/l. Three parallel tests were carried out. In the first, the calculated volume ratio was applied, in the second, this ratio was divided by two and in the third, this ratio was multiplied by two. Three replicate samples were prepared at all solvent ratios.
The test vessels were shaken by hand through 180° about their transverse axis a hundred times during five minutes. The separation of the two phases was achieved by centrifugation at 20 °C (4000 rpm).
The partition coefficient (Pow) of test item in n-octanol - water was determined to be 0.0150 ± 0.0028 (95 % confidence interval) at 20 °C and pH ca 6.15; the related log Pow was calculated to be -1.84 using the shake flask method.
Quality criteria were met as values of log Pow derived from individual measurements fell within a range of ± 0.3 log units.
Conclusion
log Pow: -1.84 at 20 °C and pH 6
Reference
Partition coefficient measured for Test Item
Ratio of solvents (n-octanol : water) | Partition coefficient | Log Pow | pH conditions | ||
Pow | Mean | pH | Mean | ||
01:01 | 0.0193 | 0.0167 | -1.78 | 6.49 | 6.47 |
0.0157 | 6.46 | ||||
0.0152 | 6.47 | ||||
01:02 | 0.0201 | 0.0177 | -1.76 | 6.02 | 6.01 |
0.0170 | 6.00 | ||||
0.0159 | 6.01 | ||||
02:01 | 0.0109 | 0.0106 | -1.98 | 5.96 | 5.96 |
0.0105 | 5.99 | ||||
0.0103 | 5.94 | ||||
Mean all ± 95 % confidence interval | 0.0150 ± 0.0028 | - | -1.84 | - |
Results of the determination of concentrations
Ratio of solvents (n-octanol:water) | Measured concentration of Test Item (µg/ml) | pH | Measured concentration of Test Item (µg/ml) | ||
In Aqueous phase | Mean | In n-octanol phase | Mean | ||
01:01 | 111.56 | 111.22 | 6.49 | 2.144 | 2.141 |
110.89 | 2.138 | ||||
113.87 | 113.49 | 6.46 | 1.807 | 1.776 | |
113.11 | 1.746 | ||||
110.39 | 110.74 | 6.47 | 1.711 | 1.681 | |
111.09 | 1.650 | ||||
Mean | 111.82 | 6.47 | 1.866 | ||
Measured test item µg | 2795.43 | - | 46.652 | ||
Total nominal quantity of test item | 2705.83 µg | ||||
Total quantity of test item | 2842.1 µg | Recovery: 105 % | |||
01:02 | 95.42* | 78.76 | 6.02 | 1.568 | 1.582 |
78.76 | 1.596 | ||||
80.37 | 79.6 | 6.00 | 1.335 | 1.35 | |
78.84 | 1.365 | ||||
82.88 | 82.9 | 6.01 | 1.302 | 1.322 | |
82.91 | 1.342 | ||||
Mean | 80.42 | 6.01 | 1.418 | ||
Measured test item µg | 2682.08 | - | 23.61 | ||
Total nominal quantity of test item | 2705.83 µg | ||||
Total quantity of test item | 2705.7 µg | Recovery: 100 % | |||
02:01 | 176.05 | 175.55 | 5.96 | 1.94 | 1.919 |
175.04 | 1.898 | ||||
170.86 | 168.6 | 5.99 | 1.654 | 1.771 | |
166.33 | 1.888 | ||||
182.19 | 179.79 | 5.94 | 1.832 | 1.856 | |
177.40 | 1.879 | ||||
Mean | 174.65 | 5.96 | 1.849 | ||
Measured test item µg | 2907.85 | - | 61.648 | ||
Total nominal quantity of test item | 2705.83 µg | ||||
Total quantity of test item | 2969.5 µg | Recovery: 110 % |
Description of key information
log Pow: -1.84 at 20 °C and pH 6
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.84
- at the temperature of:
- 20 °C
Additional information
OECD 107 - flask method
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