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Diss Factsheets
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EC number: 806-984-5 | CAS number: 1392411-89-0
- 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
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- > 1.323 - < 3.617
- Temp.:
- 25 °C
- pH:
- 6
- Details on results:
- For each reference substance, the capacity factor K was calculated from the retention time of thiourea and the retention time of the respective reference substance. A calibration function (log K versus log Pow, linear fit) was determined using the literature values for Pow of the reference substances and the retention times in the six determinations. Variations in the retention times of reference substances and test substance peaks were very small. Therefore a stable configuration of the HPLC-column can be assumed. The correlation log K/Log Pow is good: the coefficient of determination r2 was calculated being 0.9781. This value was considered as sufficiently high to use the calibration function for the determination of the log Pow of the test substance.
- Conclusions:
- Under the study conditions the log Pow of the substance lies in the range of 1.323 – 3.617.
- Executive summary:
A study was conducted to determine partition coefficient of the substance according to OECD Guideline 117 and EU Method A.8. The chromatogram of the test substance gave five major and seven minor peaks. With the calibration function log K versus log Pow, the corresponding log Pow values of each peak was determined. HPLC column was kept at 25 ± 0.5°C and the pH of the test substance was 6. Under the study conditions the log Pow of the substance lies in the range of 1.323 – 3.617 (Johannes, 2016).
Reference
The chromatogram of the test substance gave five major and seven minor peaks. With the calibration function log K versus log Pow, the corresponding log Pow values of each peak was determined as follows:
Peak | Mean Area [mAU*min]1 |
Relative Area [%] |
Mean Retention Time [min] |
log Pow ± Stand. Dev |
1 | 0.200 | 3.1 | 1.839 | 0.714 ± 0.003 |
2 | 0.183 | 2.9 | 1.935 | 0.946 ± 0.001 |
3 | 1.192 | 18.6 | 2.132 | 1.323 ± 0.001 |
4 | 2.330 | 36.4 | 2.373 | 1.669 ± 0.001 |
5 | 0.057 | 0.9 | 2.864 | 2.170 ± 0.004 |
6 | 0.104 | 1.6 | 4.037 | 2.900 ± 0.002 |
7 | 0.081 | 1.3 | 4.239 | 2.992 ± 0.002 |
8 | 0.186 | 2.9 | 4.742 | 3.195 ± 0.002 |
9 | 0.652 | 10.2 | 4.989 | 3.284 ± 0.000 |
10 | 0.203 | 3.2 | 5.252 | 3.372 ± 0.001 |
11 | 0.553 | 8.6 | 5.925 | 3.574 ± 0.001 |
12 | 0.668 | 10.4 | 6.086 | 3.617 ± 0.001 |
These values are the means ± standard deviations of three independent determinations As peaks 1, 2, 5 – 8 and 10 show a relative area < 5%, they are considered as minor peaks and are not taken into account in the determination of log Pow of the test substance. Although area is not necessarily correlated to the absolute concentration, if a UV detector is used, it is assumed that the test substance consists mainly of peaks 3, 4, 9, 11 and 12, indicating that the log Pow of the test substance lies in the range of 1.323 – 3.617.
Description of key information
The partition coefficient was determined according to OECD Guideline 117 and EU Method A.8 (Johannes, 2016).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.617
- at the temperature of:
- 25 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.