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EC number: 268-974-1 | CAS number: 68155-62-4
- 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:
- August from 21st to 23rd, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Remarks:
- although the values recorded are outside of the applicability domain for the test method, the results can be considered as reliable and representative for the tested substance
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- validation of analytical method
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- adopted July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 31 May 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- < -2.1
- Temp.:
- 20 °C
- pH:
- 5.2 - 6.7
- Details on results:
- The measured concentration of test item in the n-Octanol phases was found to be < LOQ. The calculation of the partition coefficient (Pow) and thelog Pow was performed using the extrapolated test item concentration in the n-Octanol phases and using the LOQ as the test item concentration in n-Octanol.
The partition coefficient (Pow) was determined to be 0.0036 (calculated with extrapolated concentration values), using shake-flask method, corresponding to a log Pow of -2.45.
The partition coefficient (Pow) and log Pow calculated with the quantification limit of the method as the concentration of the test item in n-Octanol phase was 0.0083 and the related log Pow is -2.10.
In conclusion, the partition coefficient, Pow, is considered to be lower than 0.0083 and the related log Pow lower than -2.10. - Conclusions:
- log Pow < -2.10 at 20 °C and pH 5.2 - 6.7
- Executive summary:
The partition coefficient of the test item was determined using shake-flask method, in accordante with the method and procedures outlined into the OECD guideline 107. The concentration in the aqueous and octanol phases was determined by HPLC-UV validate method. On the basis of the preliminary assay, shake-flask method was evaluated as chosen.
In the first experiment, the calculated volume ratio was applied, in the second, this ratio is divided by two and in the third, this ratio is multiplied by two. Test temperature was 20 ± 1 °C. Three parallel tests were carried out at all solvent ratios in 15 ml centrifuge tubes. The test vessels were shaken by hand through 180 ° about its transverse axis, hundred times during five minutes.
An HPLC method using UV-VIS detection has been validated for the quantification of the test item in ultra-pure water and in n-octanol.
The procedure was found to be suitable for the analysis.
The partition coefficient (Pow) of the substance was determined to be lower than 0.0083 (log Pow < -2.10) at 20 °C and pH values varied between 5.2 and 6.7.
Conclusion
log Pow < -2.10 at 20 °C and pH 5.2 - 6.7.
Reference
Calculated (extrapolated) partition coefficient (Pow) and log Pow
Ratio of solvents (n-Octanol : Water) | Partition coefficient | Log Partition coefficient | pH |
Pow |
log Pow |
||
1:1 |
0.0033 |
-2.49 |
5.59 |
1:2 |
0.0044 |
-2.36 |
6.47 |
2:1 |
0.0032 |
-2.5 |
5.19 |
Mean all |
0.0036 |
-2.45 |
5.75 |
Calculated partition coefficient (Pow) and log Pow based on LOQ value
Ratio of solvents (n-Octanol : Water) | Partition coefficient | log Partition coefficient | pH |
Pow |
Log Pow |
||
01:01 |
0.0081 |
-2.09 |
5.59 |
01:02 |
0.0112 |
-1.95 |
6.47 |
02:01 |
0.0054 |
-2.27 |
5.19 |
Mean all |
0.0083 |
-2.1 |
5.75 |
Results of the determination of test item concentrations
Ratio of solvents (n-Octanol:water) |
Measured concentration of Test Item (µg/ml) |
pH |
Measured concentration of Test Item (µg/ml) |
||
In Aqueous phase |
Mean |
In n-Octanol phase* |
Mean |
||
1:1 |
5.70 |
5.72 |
5.92 |
0.015 |
0.016 |
5.74 |
0.017 |
||||
5.87 |
5.79 |
5.8 |
0.021 |
0.022 |
|
5.70 |
0.023 |
||||
5.59 |
5.68 |
6.13 | 0.018 | 0.018 | |
5.78 | 0.018 | ||||
Mean |
5.73 | 5.95 | 0.019 | ||
Measured test item µg |
42.98 | - | 0.141 | ||
Total nominal quantity of test item |
43.44 µg | ||||
Total quantity of test item |
43.1 µg | Recovery: 99 % | |||
1:2 | 4.02 | 4.09 | 6.9 | 0.018 | 0.017 |
4.16 | 0.015 | ||||
4.12 | 4.1 | 6.75 | 0.018 | 0.019 | |
4.08 | 0.019 | ||||
4.22 | 4.21 | 6.57 | 0.017 | 0.019 | |
4.20 | 0.021 | ||||
Mean |
4.13 | 6.74 | 0.018 | ||
Measured test item µg |
41.35 | - | 0.09 | ||
Total nominal quantity of test item |
43.44 µg | ||||
Total quantity of test item |
41.4 µg | Recovery: 95 % | |||
2:1 | 8.65 | 8.57 | 5.27 | 0.026 | 0.026 |
8.49 | 0.025 | ||||
8.42 | 8.49 | 5.22 | 0.026 | 0.028 | |
8.56 | 0.029 | ||||
8.72 | 8.69 | 5.07 | 0.03 | 0.029 | |
8.67 | 0.028 | ||||
Mean |
8.58 | 5.19 | 0.027 | ||
Measured test item µg |
42.92 | - | 0.274 | ||
Total nominal quantity of test item |
43.44 µg | ||||
Total quantity of test item |
43.2 µg | Recovery: 99 % |
Description of key information
log Pow < -2.10 at 20 °C and pH 5.2 - 6.7
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.1
- at the temperature of:
- 20 °C
Additional information
OECD 107 - shake-flask method
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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