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EC number: 293-766-2 | CAS number: 91082-52-9
- 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:
- Experimental start date: 23 December 2015, Experimental completion date: 04 January 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- Commission Regulation (EC) No 440/2008, dated May 30, 2008
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- However, the study was performed in a test facility which has been certified to be in compliance with the principles of GLP.
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- >= 1.09 - <= 2.08
- Temp.:
- 20 °C
- pH:
- 9
- Remarks on result:
- other: The test item eluted at a column temperature of 30 °C in 4 peaks corresponding to log Pow values of 1.09, 1.59, 2.02 and 2.08.
- Type:
- Pow
- Partition coefficient:
- >= 12.4 - <= 119
- Temp.:
- 20 °C
- pH:
- 9
- Remarks on result:
- other: The test item eluted at a column temperature of 30 °C in 4 peaks corresponding to Pow values of 12.4, 38.9, 105 and 119.
- Details on results:
- - Dead time: t0 = 1.312 min (mean of 2 measurements with thiourea)
- Retention time of the test item: tr = 55.65
- Capacity factor k' of the test item: The test item eluted in four peaks. The mean of the two injections made revealed the following capacity factors.
Peak 1: k' = 0.656 and 0.648, arithmetic mean 0.652
Peak 2: k' = 1.185 and 1.178, arithmetic mean 1.1815
Peak 3: k' = 1.985 and 1.982, arithmetic mean 1.9835
Peak 4: k' = 2.137 and 2.130, arithmetic mean 4.26772
- Intercept of the calibration curve: A = -0.7577
- Slope of the calibration curve: B = 0.5234
- Coefficient of determination of the calibration curve: R² = 0.9835 - Conclusions:
- In a valid, conclusive and reliable study according to OECD TG 117 (2004), the partition coefficient (n-octanol / water) of the test item was determined to be in the range 12.4 to 119, log10 Pow range 1.09 to 2.08, at pH 9.0.
- Executive summary:
The n-octanol/water partition coefficient of the test item was determined in a non-GLP study using the HPLC method according to the OECD TG 117 (2004) and EU A.8 (Commission Regulation (EC) No 440/2008) protocols. The experiment is considered relevant, adequate and conclusive.
2-Butanone, benzyl alcohol, benzonitrile, benzene, toluene and naphthalene were used as standard references. The correlation of fit of the established calibration curve (R²) was 0.9835 demonstrating the reliability of the method in the calibration range from Log Pow 0.3 to 3.6. The column temperature was 30 °C and the injection solution pH was buffed to pH 9.
The test item eluted in four peaks within the calibration range. It can be concluded that the partition coefficient of the test item is in the range of 12.4 to 119 corresponding to the Log Pow range of 1.09 to 2.08 at pH 9.0.
Reference
Table 3: retention times, capacity factors and Log Pow values determined for the sample
Peak no. | Injection | Retention Time [min] | Capacity Factor (k') | Log k' | Log Pow | Mean Log Pow |
1 | 1 | 2.172 | 0.656 | -0.183 | 1.10 | 1.09 |
2 | 2.162 | 0.648 | -0.188 | 1.09 | ||
2 | 1 | 2.867 | 1.185 | 0.0738 | 1.59 | 1.59 |
2 | 2.857 | 1.178 | 0.0711 | 1.58 | ||
3 | 1 | 3.916 | 1.985 | 0.298 | 2.02 | 2.02 |
2 | 3.912 | 1.982 | 0.297 | 2.02 | ||
4 | 1 | 4.116 | 2.137 | 0.330 | 2.08 | 2.08 |
2 | 4.106 | 2.130 | 0.328 | 2.08 |
Table 4: Test item sample solution percentage area normalization data
Peak no. |
Percentage Area Normalization |
||
Injection 1 |
Injection 1 |
Mean |
|
1 |
16.18 |
16.12 |
16.15 |
2 |
81.29 |
81.36 |
81.33 |
3 |
1.81 |
1.84 |
1.83 |
4 |
0.72 |
0.68 |
0.70 |
Description of key information
In a valid, conclusive and reliable study according to OECD TG 117 (2004), the partition coefficient (n-octanol / water) of the test item was determined to be in the range 12.4 to 119, log10 Pow range 1.09 to 2.08, at pH 9.0.
Key value for chemical safety assessment
Additional information
The UVCB substance is a complex mixture mainly of dimethyl- and methylpyridines. Therefore, a range of log Kow values has been determined in the available study. The highest experimental log Kow value of 2.08 will be used in the chemical safety assessment of the substance.
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