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EC number: 482-160-5 | CAS number: 130786-09-3
- 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:
- 06-07-2016 to 18-07-2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well documented guideline study. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- mass spectrometry
- Type:
- log Pow
- Partition coefficient:
- 3.93
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- The octanol / water partition coefficient was determined to be log Pow = 3.93 ± 0.03 at 25 °C.
- Executive summary:
The partition coefficient of the substance was determined according to the flask method of OECD TG 107 and EU Method A.8. The test was performed at a temperature of 20 to 25 ± 1 °C in two independent replicates (test vessels of different equilibration times) with three sub-replicates (different n-octanol/water ratio samples). The equilibration times included 2 days and 5 days equilibration.Both phases of each sample were analysed via HPLC-DAD using the test item for external calibration. The analytical method for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity for each of the used test systems. The mean log Pow values in the equilibration time for each replicate fell within a range of ± 0.06 log. The octanol / water partition coefficient was determined to be log Pow = 3.93 ± 0.03 at approximately 25 ± 1 °C and pH 7.0.
Reference
Table 1: Partition Coefficient Results
Test |
n-Octanol/water ratio |
Measured concentration in n-Octanol (mg/L) |
Measured concentration in aq. Phase (mg/L) |
Pow |
Log Pow |
Mean Log Pow |
± SD |
Difference (max. -min.) |
1 |
2:1 |
1809 |
0.197 |
9178 |
3.96 |
3.93 |
0.03 |
0.06 |
|
1:1 |
1798 |
0.226 |
7954 |
3.90 |
|
|
|
|
1:2 |
1766 |
0.214 |
8268 |
3.92 |
|
|
|
|
|
|
|
|
|
|
|
|
2 |
2:1 |
1823 |
0.206 |
8855 |
3.95 |
3.93 |
0.01 |
0.03 |
|
1:1 |
1814 |
0.217 |
8349 |
3.92 |
|
|
|
|
1:2 |
1851 |
0.218 |
8478 |
3.93 |
|
|
|
|
|
|
|
|
|
|
|
|
SD: Standard deviation
Description of key information
log Pow (flask method) = 3.93 ± 0.03 at ca. 25 ± 1 °C and pH 7.0, OECD TG 107, 2016
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.93
- at the temperature of:
- 25 °C
Additional information
Key study : OECD 107, 2016 : The partition coefficient of the substance was determined according to the flask method of OECD TG 107 and EU Method A.8. The test was performed at a temperature of 20 to 25 ± 1 °C in two independent replicates (test vessels of different equilibration times) with three sub-replicates (different n-octanol/water ratio samples). The equilibration times included 2 days and 5 days equilibration.Both phases of each sample were analysed via HPLC-DAD using the test item for external calibration. The analytical method for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity for each of the used test systems. The mean log Pow values in the equilibration time for each replicate fell within a range of ± 0.06 log. The octanol / water partition coefficient was determined to be log Pow = 3.93 ± 0.03 at approximately 25 ± 1 °C and pH 7.0.
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