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EC number: 219-110-7 | CAS number: 2362-14-3
- 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:
- 24 April 2001
- 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:
- 30 March 1989
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- December 1992
- 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:
- 3.1
- Temp.:
- 25 °C
- Remarks on result:
- other: pH of the test solution was not given in the test report.
- Details on results:
- The log Pow of the test material was calculated using a regression curve (log k' vs. log Pow) and was found to be 3.1.
Please see the attached figures for typical chromatograms of the reference mixture and the sample solution. As can be seen, the chromatography of the test material resulted in one main peak with a well defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study. Based on the chromatographic data, the test material was considered to be stable during the test procedure.
The retention times of the individual measurements of the reference items, the test material and for the determination of the dead time are given in the Table 'Retention times in minutes of the reference items and of the test material'. The mean retention times and the derived capacity factors are stated in the Table 'Determination of the n-octanol/water partition coefficient of the test material'. Using the corresponding log Pow values of the reference items from the OECD guideline, the regression coefficients were calculated as stated in the Table 'Determination of the n-octanol/water partition coefficient of the test material'. The log Pow value of the test material was calculated from the calibration equation. The partition coefficient curve is included in the attached figures.
The tabulated values below represent rounded mean results, which were obtained by calculation using the exact raw data. - Conclusions:
- Under the conditions of the study, using the HPLC method, the log Pow of the test material was determined to be 3.1 at 25°C.
- Executive summary:
The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.8 under GLP conditions using the HPLC method.
The n-octanol/water partition coefficient was determined from the test material elution time on a reversed-phase column with UV-VIS detector in comparison with the elution behaviour of 6 reference items.
The log Pow of the test material was determined to be 3.1 at 25 °C.
Reference
Retention time in minutes of the reference items and of the test material
Run 1 | Run 2 | Run 3 | Run 4 | Run 5 | Run 6 | |
Thiourea (dead-time) | 1.43 | 1.43 | ||||
Benzonitrile | 3.17 | 3.17 | 3.17 | 3.17 | 3.17 | 3.18 |
Benzene | 4.51 | 4.51 | 4.51 | 4.51 | 4.51 | 4.52 |
Ethyl benzoate | 5.11 | 5.11 | 5.11 | 5.10 | 5.10 | 5.11 |
Bromobenzene | 6.55 | 6.54 | 6.54 | 6.54 | 6.54 | 6.55 |
1,4-dichlorobenzene | 8.50 | 8.49 | 8.49 | 8.48 | 8.49 | 8.49 |
Isopropylbenzene (Cumol) | 10.77 | 10.77 | 10.77 | 10.75 | 10.75 | 10.76 |
Test material | 7.34 | 7.34 | 7.34 |
Determination of the n-octanol/water partition coefficient of the test material
No of analysis | Mean retention time [min] | k' | log k' | log Pow | |
Thiourea (dead-time) | 2 | 1.43 | - | - | - |
Benzonitrile | 6 | 3.17 | 1.21 | 0.08 | 1.6 |
Benzene | 6 | 4.51 | 2.15 | 0.33 | 2.1 |
Ethyl benzoate | 6 | 5.11 | 2.56 | 0.41 | 2.6 |
Bromobenzene | 6 | 6.54 | 3.56 | 0.55 | 3.0 |
1,4-dichlorobenzene | 6 | 8.49 | 4.92 | 0.69 | 3.4 |
Isopropylbenzene (Cumol) | 6 | 10.76 | 6.50 | 0.81 | 3.7 |
Test material | 3 | 7.34 | 4.12 | 0.61 | 3.1 |
Linear regression slope = |
0.328 |
Description of key information
The log Pow was determined to be 3.1 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.1
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.8 under GLP conditions using the HPLC method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The n-octanol/water partition coefficient was determined from the test material elution time on a reversed-phase column with UV-VIS detector in comparison with the elution behaviour of 6 reference items.
The log Pow of the test material was determined to be 3.1 at 25 °C.
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