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EC number: 278-130-4 | CAS number: 75214-63-0
- 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:
- January from 19th to 23rd, 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:
- validated 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
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -3.46
- Temp.:
- 20 °C
- pH:
- 4.18 - 4.29
- Details on results:
- The partition coefficient (Pow) was determined to be 0.0004 ± 0.0001 (95 % confidence interval) which corresponds to log Pow of - 3.46 using the shake flask method.
The nine log Pow values were within a range of ± 0.3 units and thus complied with the guidelines. - Conclusions:
- log Pow: -3.46 at 20 °C and pH ca 4.22
- Executive summary:
The partition coefficient of the test item was determined by shake flask method, according to the OECD testing guideline 107. The experiments were carried out applying volume ratios and quantities of the test substance depending on expected partition and the LOQ of the analytical method in both phases. The maximum concentration in either phase was not greater 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. The test was performed at 20 ± 1 °C. Three replicates were carried out at all solvent ratios.
The partition coefficient (Pow) was determined to be 0.0004 ± 0.0001 (95 % confidence interval) at 20 °C and pH ca 4.22; the determined Pow corresponds to log Pow of - 3.46 using the shake flask method.
The nine log Pow values were within a range of ± 0.3 units and thus complied with the guidelines.
Conclusion
log Pow: -3.46 at 20 °C and pH ca 4.22
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 | pH | Mean | |
10:01 | 0.0003 | 0.0003 | -3.59 | -3.48 | 4.18 | 4.18 |
0.0004 | -3.44 | 4.18 | ||||
0.0004 | -3.42 | 4.19 | ||||
05:01 | 0.0005 | 0.0005 | -3.33 | -3.32 | 4.27 | 4.28 |
0.0005 | -3.32 | 4.29 | ||||
0.0005 | -3.33 | 4.27 | ||||
20:01 | 0.0003 | 0.0003 | -3.53 | -3.56 | 4.2 | 4.21 |
0.0003 | -3.56 | 4.21 | ||||
0.0003 | -3.59 | 4.21 | ||||
Mean all±95% confidence interval | 0.0004±0.0001 | - | -3.46 ± 0.11 | - | 4.22 ± 0.04 | - |
Measured concentrations
Ratio of solvents (n-Octanol : Water) | Measured concentration in n-octanol phase (µg/ml) | Measured concentration in aqueous phase (µg/ml) | pH |
10 : 1 | 0.002 | 8.84 | 4.18 |
0.003 | 8.68 | 4.18 | |
0.003 | 8.77 | 4.19 | |
Mean | 0.003 | 8.76 | 4.18 |
RSD % | 19 | 1 | - |
Measured quantity of test item (Mo; Mw) | 0.12 µg | 36.8 µg | - |
Total nominal quantity of test item (Ms) | 37.3 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 36.9 µg | ||
Recovery | 99 % | ||
5 : 1 | 0.002 | 4.78 | 4.27 |
0.002 | 4.69 | 4.29 | |
0.002 | 4.56 | 4.27 | |
Mean | 0.002 | 4.68 | 4.28 |
RSD% | 3 | 2 | - |
Measured quantity of test item (Mo; Mw) | 0.09 µg | 36.0 µg | - |
Total nominal quantity of test item (Ms) | 37.3 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 36.1 µg | ||
Recovery | 97 % | ||
20 : 1 | 0.005 | 15.4 | 4.20 |
0.004 | 16.1 | 4.21 | |
0.004 | 16.4 | 4.21 | |
Mean | 0.004 | 16 | 4.21 |
RSD % | 4 | 3 | - |
Measured quantity of test item (Mo; Mw) | 0.19 µg | 35.1 µg | - |
Total nominal quantity of test item (Ms) | 37.3 µg | ||
Total quantity of test item (Mo+Mw) in the two-phase system | 35.3 µg | ||
Recovery | 95 % |
Description of key information
log Pow: -3.46 at 20 °C and pH ca 4.22
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1
- at the temperature of:
- 20 °C
Additional information
OECD 107 - shake flask method
The value for the chemical safety assessment was set to the minimum accepted value of -1.
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