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EC number: 274-958-5 | CAS number: 70865-30-4
- 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:
- June from 07 to 13, 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
- 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:
- -0.6
- Temp.:
- 26 °C
- pH:
- ca. 7.3
- Details on results:
- As 20 ml of the stock solution were added to each separating funnel, each funnel should contain 85.75 mg of the test item.
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.
PRELIMINARY TEST
The preliminary test at room temperature showed that the octanol solubility of the test item was between 14.9 and 32.5 g/l.
The water solubility was determined to be within 28.2 and 63.5 g/l at 20 °C, while the solubility in octanol between 14.9 and 32.5 g/l; therefore, the the partition coefficient log Pow can be estimated to be between -0.63 and 0.06 .
For the determination of the log Pow in this range, the shake flask method is recommended. - Conclusions:
- log Pow: -0.6 at ca 26 °C and pH ca 7.3
- Executive summary:
The partition coefficient was determined according to the OECD guideline 107, shake-flask method. Based on preliminary test results, the shake-flask method was used for the main experiment.
After adding different amounts of stock solution, pre-saturated double distilled water and pre-saturated 1-octanol, the funnels were shaken and then the phases were allowed to separate in the funnels. For the analytical measurement by means of HPLC, centrifuged clear aqueous phases were diluted from 1 to 50 ml with double distilled water. The pH values of all water phases were measured.
During the main test, the log Pow was measured to be -0.6 at ca 26 °C and pH ca 7.3.
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.
Conclusion
log Pow: -0.6 at ca 26 °C and pH ca 7.3
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 | 85.42 | 99.6 | 0.27 | -0.6 |
1b | 86.01 | 100.3 | 0.27 | -0.6 |
2a | 86.28 | 100.6 | 0.24 | -0.6 |
2b | 81.18 | 94.7 | 0.23 | -0.6 |
3a | 84.62 | 98.7 | 0.32 | -0.5 |
3b | 85.84 | 100.1 | 0.32 | -0.5 |
mean value |
-0.6 | |||
standard deviation |
<0.1 |
Concentrations in the aqueous phases
separating funnel | pH values* |
measured concentration (mg/l) |
mean concentration** (mg/l) |
1a | 7.4 | 37.9 / 37.3 | 1881.1 |
1b | 7.4 | 38.0 / 37.8 | 1893.5 |
2a | 7.3 | 34.1 / 35.3 | 1733.6 |
2b | 7.3 | 33.1 / 32.6 | 1644.8 |
3a | 7.2 | 51.9 / 51.2 | 2578.0 |
3b | 7.3 | 52.0 / 52.8 | 2620.5 |
*at temperatures of 25.4 – 26.5 °C
**under consideration of the dilution factor 50
Concentrations in the octanol phases
separating funnel | measured concentration (mg/l) | mean concentration* (mg/l) |
1a | 10.3 / 10.1 | 508.9 |
1b | 10.4 / 10.1 | 513.6 |
2a | 17.0 / 16.9 | 423.3 |
2b | 15.4 / 15.4 | 384.8 |
3a | 16.4 / 16.6 | 826.5 |
3b | 16.7 / 16.7 | 835.8 |
*under consideration of the dilution factor 50 (1 and 3) and factor 25 (2)
PRELIMINARY TEST
Preliminary test for the octanol solubility
Total amount of added test item [mg] | Volume of octanol [ml] | Stirring time at RT [min] | Remark |
88.74 | 20 | 35 | dissolved |
298.87 | 30 | dissolved | |
650.04 | 55 | non dissolved |
Description of key information
log Pow: -0.6 at ca 26 °C and pH ca 7.3
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.6
- at the temperature of:
- 26 °C
Additional information
Shake-flask method - OECD 107
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