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EC number: 276-516-7 | CAS number: 72243-90-4
- 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 February 20 to March 20, 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:
- 1995
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- -1.3
- Temp.:
- 25 °C
- pH:
- ca. 6
- Details on results:
- To verify the accuracy of the analytical method two fresh prepared standard solutions in double distilled water (prepared with the test item) were measured in between the samples of the shake-flask-method. The recovery rate of the measured standard solutions was in the range from 101.6 % to 108.9 %, which shows a sufficient accuracy of the analytical method.
PRELIMINARY TEST
The preliminary test at room temperature showed, that the octanol solubility of the test item was between 0.1 and 0.9 g/l.
With the water solubility of 36.3 g/l at 20 °C, determined in the specific study and the solubility in octanol between 0.1 and 0.9 g/l, determined from this preliminary test, the partition coefficient can be estimated to be between -2.4 and -0.9. - Conclusions:
- log Pow: -1.3 at 25 °C and pH ca 6
- Executive summary:
The partition coefficient was determined following the method and procedures described into the OECD guideline 107.
Based on the preliminary test results, the partition coefficient was estimated to be between -2.4 and -0.9, thus shake-flask method was used for the main experiment.
For the shake-flask-method six separating funnels were prepared. After adding the different amounts of stock solution, pre-saturated double distilled water and pre-saturated 1-octanol, the funnels were shaken for approx. 10 minutes in a shaking apparatus. After shaking the phases were allowed to separate in the funnels. Subsequently, 10 ml of each phase were centrifuged for 30 minutes at 20 °C and 15000 rpm.
For the analytical measurement by means of HPLC the centrifuged clear aqueous phases were diluted from 0.1 to 1 ml with double destilled water. The octanol phases were not diluted for the HPLC-measurements. The pH values of all water phases were measured.
The log Pow values of all six separating funnels should lie within the range of ±0.3 units.
The partition coefficient log Pow resulted to be -1.3 (SD < 0.1) at 25 °C and pH ca 6.
To verify the accuracy of the analytical method two fresh prepared standard solutions in double distilled water (prepared with the test item) were measured in between the samples of the shake-flask-method. The recovery rate of the measured standard solutions was in the range from 101.6 % to 108.9 %, which shows a sufficient accuracy of the analytical method.
Conclusion
log Pow: -1.3 at 25 °C and pH ca 6
Reference
Results of the shake-flask-method
separating funnel | total amount of test item in the separating funnel (mg) | recovery rate (%) | POW | log POW |
1a | 11.0 | 100.6 | 0.05 | -1.3 |
1b | 10.7 | 97.8 | 0.05 | -1.3 |
2a | 10.7 | 98.0 | 0.04 | -1.4 |
2b | 10.7 | 97.8 | 0.05 | -1.3 |
3a | 10.7 | 98.3 | 0.05 | -1.3 |
3b | 10.4 | 95.1 | 0.06 | -1.2 |
mean value |
-1.3 | |||
standard deviation |
<0.1 |
Concentrations in the aqueous phases
separating funnel | pH values* |
measured concentration (mg/l) |
mean concentration** (mg/l) |
1a | 6.0 | 26.6 / 26.9 | 267.2 |
1b | 6.0 | 26.0 / 25.9 | 259.5 |
2a | 5.9 | 25.7 / 25.4 | 255.8 |
2b | 6.0 | 25.2 / 25.7 | 254.6 |
3a | 5.8 | 48.7 / 48.7 | 486.7 |
3b | 5.9 | 46.4 / 46.3 | 463.8 |
*at temperatures of 24.6 – 24.8 °C
**under consideration of the dilution factor 10
Concentrations in the octanol phases
separating funnel | measured concentration (mg/l) | mean concentration (mg/l) |
1a | 13.7 / 13.4 | 13.6 |
1b | 14.0 / 14.0 | 14.0 |
2a | 11.1 / 11.3 | 11.2 |
2b | 11.9 / 12.0 | 11.9 |
3a | 24.7 / 24.2 | 24.5 |
3b | 27.2 / 27.5 | 27.4 |
Description of key information
log Pow: -1.3 at 25 °C and pH ca 6
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.3
- at the temperature of:
- 25 °C
Additional information
OECD 107 - Shake-flask method
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