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EC number: - | CAS number: -
- 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:
- 20 June 2017
- 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
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.71
- Temp.:
- 23 °C
- pH:
- 6
- Details on results:
- OBSERVATIONS
- The test was conducted at neutral pH (no buffers were used). All test material peaks eluted before 10 minutes. One peak eluted prior to the void volume marker so it was excluded. The second peak eluted after the void volume marker but before the lowest Kow standard. Extrapolation was used to make the best estimate of the Kow for this peak.
RESULTS
- The test material was composed of 5 main peaks, with retention times of approximately 1.7, 2.4, 4.0, 5.4 and 8.8 minutes. The first peak at 1.7 minutes eluted prior to the void volume marker and was not included in the calculations. The second peak at 2.4 minutes eluted after the void volume marker but before the lowest Kow standard (acetanilide 3.6 minutes). Extrapolation was used to make the best estimate of the Kow for this peak. Only peaks with an area greater than 5% of the total were included in the calculations of Kow.
- The individual log Kow values and the weighted average log Kow were determined, the results are summarised in Table 1. Note that only the peaks greater than 5% total area are included in this table.
- The error in the measurements was estimated using the relative percent difference (RPD) of the two independent preparations analysed in these experiments. The difference between the two preparations was 0.29 log units, corresponding to an RPD of 16.9%.
- The test material displayed a weight-averaged log Kow of 1.71 ± 0.29 at neutral pH as per the method in OECD Test No. 117. - Conclusions:
- Under the conditions of this study, the test material displayed a weight-averaged log Kow of 1.71 ± 0.29 at neutral pH.
- Executive summary:
The partition coefficient of the test material was determined in accordance with the standardised guideline OECD 117 under GLP conditions using the HPLC method.
The test was conducted at neutral pH (no buffers were used). All test material peaks eluted before 10 minutes. The test material was composed of 5 main peaks, with retention times of approximately 1.7, 2.4, 4.0, 5.4 and 8.8 minutes. The first peak at 1.7 minutes eluted prior to the void volume marker and was not included in the calculations. The second peak at 2.4 minutes eluted after the void volume marker but before the lowest Kow standard (acetanilide 3.6 minutes). Extrapolation was used to make the best estimate of the Kow for this peak. Only peaks with an area greater than 5% of the total were included in the calculations of Kow.
The error in the measurements was estimated using the relative percent difference (RPD) of the two independent preparations analysed in these experiments. The difference between the two preparations was 0.29 log units, corresponding to an RPD of 16.9 %.
Under the conditions of this study, the test material displayed a weight-averaged log Kow of 1.71 ± 0.29 at neutral pH.
Reference
Table 1: Summary of Partition Coefficient Data in Neutral Conditions
Preparation Number |
Concentration (mg/mL) |
Peak Retention Time (min) |
Peak Area (%*) |
log Kow |
Weighted Average log Kow |
1 |
2.91 |
2.275** |
8.7 |
-1.86 |
1.56 |
3.655 |
57.7 |
1.26 |
|||
5.068 |
23.5 |
2.52 |
|||
8.094 |
10.1 |
3.97 |
|||
2 |
2.90 |
2.381** |
7.9 |
-1.39 |
1.85 |
3.995 |
61.6 |
1.64 |
|||
5.429 |
22.9 |
2.75 |
|||
8.759 |
7.7 |
4.19 |
|||
Average |
1.71 |
||||
Relative Percent Difference (RPD, %) |
16.9 % |
||||
Absolute Difference (log units) |
0.29 |
* The weighted average log Kow was based on peaks with percentage area greater than 5% of the total area.
** The retention time for first peak of the test material was below the range obtained from standards. The Kow determined was less than the lowest Kow standard acetanilide which has a Kow of 1.0.
Description of key information
Under the conditions of this study, the test material displayed a weight-averaged log Kow of 1.71 ± 0.29 at neutral pH.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.71
- at the temperature of:
- 23 °C
Additional information
The partition coefficient of the test material was determined in accordance with the standardised guideline OECD 117 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 test was conducted at neutral pH (no buffers were used). All test material peaks eluted before 10 minutes. The test material was composed of 5 main peaks, with retention times of approximately 1.7, 2.4, 4.0, 5.4 and 8.8 minutes. The first peak at 1.7 minutes eluted prior to the void volume marker and was not included in the calculations. The second peak at 2.4 minutes eluted after the void volume marker but before the lowest Kow standard (acetanilide 3.6 minutes). Extrapolation was used to make the best estimate of the Kow for this peak. Only peaks with an area greater than 5% of the total were included in the calculations of Kow.
The error in the measurements was estimated using the relative percent difference (RPD) of the two independent preparations analysed in these experiments. The difference between the two preparations was 0.29 log units, corresponding to an RPD of 16.9%.
Under the conditions of this study, the test material displayed a weight-averaged log Kow of 1.71 ± 0.29 at neutral pH.
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