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EC number: 949-569-5 | CAS number: -
- 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:
- March 15, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- GLP compliance:
- yes
- Remarks:
- Swiss Federal Office of Public Health, Consumer protection directorate, Notification authority for chemicals, Bern, Switzerland
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 4.57 - <= 4.79
- Temp.:
- 20 °C
- pH:
- 7.39
- Remarks on result:
- other: based on four peaks representing >95% of the test item (area %)
- Conclusions:
- The partition coefficient (n-octanol/water) of the test item was determined using the HPLC method. The log Pow-values based on four peaks representing more than 95 % of the test item (area %) ranged from 4.57 to 4.79.
Reference
Results of the calibration
The R² fit of the calibration curve used was 0.9956. The deviations of calculated log Pow-values from actual log Pow-values were 2.5 % at maximum. This reflects the linear correlation between the logarithms of the capacity factors of the HPLC system and the log Pow-values of the reference items in the applied range of 3.0 to 6.5.
Results of the partition coefficient determination for the test item
The test item showed a chromatographic profile consisting of several peaks. It could be verified that the four peaks with retention times between 8.3 and 9.7 minutes are representing more than 95 % of the test item (area %). The evaluation was based on these peaks.The log Pow-values for the compounds relating to these peaks were found to be 4.57 (Peak 1), 4.62 (Peak 2), 4.69 (Peak 3) and 4.79 (Peak 4). The data are given in the following table.
Peak Number |
Solution |
Run |
Retention Time [min] |
|
|||
Thiourea (dead time) |
Solution 1 |
1strun |
1.073 |
|
|||
2ndrun |
1.073 |
|
|||||
Solution 2 |
1strun |
1.067 |
|
||||
2ndrun |
1.067 |
|
|||||
Peak Number |
Solution |
Run |
Retention Time [min] |
log k' |
Log Pow |
Mean |
Standard Deviation |
Test Item |
Solution 1 |
1strun |
8.380 |
0.833 |
4.57 |
4.57 |
±0.01 |
2ndrun |
8.380 |
0.833 |
4.57 |
||||
Solution 2 |
1strun |
8.373 |
0.836 |
4.58 |
|||
2ndrun |
8.373 |
0.836 |
4.58 |
||||
Test Item |
Solution 1 |
1strun |
8.620 |
0.847 |
4.61 |
4.62 |
±0.00 |
2ndrun |
8.627 |
0.848 |
4.61 |
||||
Solution 2 |
1strun |
8.613 |
0.850 |
4.62 |
|||
2ndrun |
8.613 |
0.850 |
4.62 |
||||
Test Item |
Solution 1 |
1strun |
9.080 |
0.873 |
4.69 |
4.69 |
±0.00 |
2ndrun |
9.087 |
0.873 |
4.69 |
||||
Solution 2 |
1strun |
9.073 |
0.875 |
4.70 |
|||
2ndrun |
9.073 |
0.875 |
4.70 |
||||
Test Item |
Solution 1 |
1strun |
9.700 |
0.905 |
4.79 |
4.79 |
±0.00 |
2ndrun |
9.707 |
0.906 |
4.79 |
||||
Solution 2 |
1strun |
9.693 |
0.908 |
4.80 |
|||
2ndrun |
9.693 |
0.908 |
4.80 |
Description of key information
Log Pow range: 4.57 to 4.79 at 20°C (OECD 117, HPLC Method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.79
- at the temperature of:
- 20 °C
Additional information
The partition coefficient (n-octanol/water) of the test item was determined using the HPLC method. Since the test item is a mixture of several constituents, the log Pow-values of the compounds assigned to each peak were evaluated. The peaks with retention times in a range of 16.7 to 20.8 minutes are representing more than 95 % of the test item (area %). The evaluation was based on these peaks and the log Pow-values ranged from 4.57 to 4.79.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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