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EC number: 275-702-5 | CAS number: 71617-10-2
- 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:
- 14/09/2018 - 19/09/2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- Version / remarks:
- 2006
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- slow-stirring method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.947
- Temp.:
- 25 °C
- pH:
- 6.6
- Remarks on result:
- other: ± 0.006
- Details on results:
- Statistics: Weighted average mean
Repeatability: Deviation ≤0.1 log
pH: 6.781, 6.109, 6.824 for replicates 1, 2 and 3
Temperature: 24.97°C, 25.05°C, 24.93°C for replicates 1, 2 and 3
Validity: Criteria for OECD 123 fulfilled; the mean log Pow values were within the range ± 0.3 log (≤ 0.1 log) and the temperature was 25 ± 1°C (24.97 ± 0.03 for replicate 1, 25.05 ± 0.03 for replicate 2 and 24.93 ± 0.04 for replicate 3) - Conclusions:
- The log n-octanol / water partition coefficient for the test item was 4.947 at 25°C and pH 6.6.
- Executive summary:
The n-octanol / water partition coefficient of the test item was determined according to OECD guideline 123 using the slow stirring method, selected due to the expected high log Pow for the test item, with four samples analysed from each of the three replicates. The validity criteria for OECD 123 were met for the study. The log partition coefficient was determined to be 4.947 at 25°C and pH 6.6.
Reference
Table 1 Partition coefficient results
Replicate | Mean test duration (h) | Measured concentration in n-octanol (mg/L) | Measured concentration in aqueous phase (mg/L) | Pow | Single Log Pow | Mean log Pow | Standard deviation ± | Coefficient of variation (%) |
1 | 68.17 | 20058 | 0.278 | 72276 | 4.859 | 4.926 | 0.047 | 0.96 |
73.58 | 20129 | 0.217 | 92826 | 4.968 | ||||
92.38 | 19049 | 0.215 | 88646 | 4.948 | ||||
98.08 | 19939 | 0.234 | 85379 | 4.931 | ||||
2 | 68.17 | 20017 | 0.247 | 80958 | 4.908 | 4.964 | 0.054 | 1.08 |
73.58 | 20741 | 0.191 | 108873 | 5.037 | ||||
92.38 | 19687 | 0.216 | 91240 | 4.96 | ||||
98.08 | 19465 | 0.219 | 88856 | 4.949 | ||||
3 | 68.17 | 20151 | 0.249 | 81061 | 4.909 | 4.952 | 0.039 | 0.78 |
73.58 | 20177 | 0.203 | 99550 | 4.998 | ||||
92.38 | 18927 | 0.22 | 85842 | 4.934 | ||||
98.08 | 19747 | 0.214 | 92357 | 4.965 | ||||
Mean value | 4.947 | |||||||
Weighted average log Pow | 4.947 | |||||||
Weighted standard deviation | 0.006 |
Description of key information
The log n-octanol / water partition coefficient of isopentyl p-methoxycinnamate was determined to be 4.947 at 25°C and pH 6.6.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.947
- at the temperature of:
- 25 °C
Additional information
The n-octanol / water partition coefficient of the test item was determined according to OECD guideline 123 using the slow stirring method, selected due to the expected high log Pow for the test item, with four samples analysed from each of the three replicates. The validity criteria for OECD 123 were met for the study. The log partition coefficient was determined to be 4.947 at 25°C and pH 6.6.
In the supporting study, the partition coefficient of the test substance was measured using EU method A8 (shake flask method) with the aid of quantitative HPLC analysis. Solutions of the test substance (less than 0.01 M) were prepared, in triplicate, in n-octanol presaturated with Milli Q distilled, deionised water. Aliquots of these 3 solutions were mixed with varying ratios of Milli Q distilled, deionised water presaturated with n-octanol. Each of these solutions was prepared in duplicate. Thus, 6 test solutions were obtained. The solutions were placed in a shaking water bath for 2 h at 25.0±1°C. Each test solution was then centrifuged for 10 min at 2,000 rpm and then left to stand for at least 1 h at 25.0°C±1°C. The layers were separated using disposable pipettes into clean vials. Each layer was analysed quantitatively by HPLC. The partition coefficients obtained with the 6 test solutions ranged from 4.636 to 4.868. An average partition coefficient of 4.78 was calculated from these results.
As the test substance is not expected to be ionisable, the test substance was considered as being analysed in its neutral form in accordance with the test guidelines. The determined Log Kow fell within a range of ±0.3 log units. Therefore, as noted in the test guidelines, the accuracy of the test was rated acceptable. The applicable range for the shake flask method is 2 < log Kow< 4 (EU method A8). When the concentration of the solute in either phase is not more than 0.01 mol/L, this range may be extended to log Kow up to 5. As the concentrations of test substance do not exceed this value in the test, the shake flask method is an appropriate method to determine log Kow of test substance.
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