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EC number: 249-649-3 | CAS number: 29461-14-1
- 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:
- 2016-09-22 to 2016-09-23
- 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)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.81
- Temp.:
- 25 °C
- pH:
- 7.4
- Remarks on result:
- other: Test item peak 1
- Remarks:
- overall mean, 2 replicates, 4 runs
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5
- Temp.:
- 25 °C
- pH:
- 7.4
- Remarks on result:
- other: test item peak 2
- Remarks:
- overall mean, 2 replicates, 4 runs
- Conclusions:
- The partition coefficient (n-octanol/water) of the substance was determined using the HPLC method according to OECD 117. The test item showed a chromatographic profile consisting of several peaks, the two main peaks representing more than 93% of the test item. The evaluation of the log Pow value was based on these two main peaks and were found to be 4.81 (Peak 1) and 5.00 (Peak 2).
Reference
Results obtained with the test item:
The test item showed a chromatographic profile consisting of several peaks. The peaks with retention times of 6.1 and 6.6 minutes are representing more than 93 % of the test item. The
evaluation was based on these two main peaks.
Test item peak | Replicate | Run | Retention time (min) | k' | log k' | log Pow | Mean | Overall mean |
1 | 1 | 1 | 6.06 | 3.783 | 0.578 | 4.818 | 4.81 | 4.81 ± 0.01 |
2 | 6.073 | 3.745 | 0.573 | 4.802 | ||||
2 | 1 | 6.067 | 3.788 | 0.578 | 4.820 | 4.82 | ||
2 | 6.06 | 3.783 | 0.578 | 4.818 | ||||
2 | 1 | 1 | 6.627 | 4.230 | 0.626 | 4.996 | 4.99 | 5.00 ± 0.01 |
2 | 6.64 | 4.188 | 0.622 | 4.979 | ||||
2 | 1 | 6.633 | 4.235 | 0.627 | 4.997 | 5.00 | ||
2 | 6.627 | 4.230 | 0.626 | 4.996 | ||||
Thiourea (dead time) | 1 | 1 | 1.267 | |||||
2 | 1.28 | |||||||
2 | 1 | 1.267 | ||||||
2 | 1.267 |
The R² fit of the calibration curve used was 0.993. The deviations of calculated log Pow-values from actual log Pow-values were 3 % 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.
Description of key information
The partition coefficient (n-octanol/water) of the substance was determined using the HPLC method according to OECD 117. The test item showed a chromatographic profile consisting of several peaks, the two main peaks representing more than 93% of the test item. The evaluation of the log Pow value was based on these two main peaks and were found to be 4.81 (Peak 1) and 5.00 (Peak 2).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5
- at the temperature of:
- 25 °C
Additional information
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