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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:
- 14 June 2016 to 29 June 2016
- 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)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Temp.:
- 30 °C
- pH:
- 7.2
- Remarks on result:
- other: The partition coefficient was determined to be <12.6 to >1 x 10^10
- Key result
- Type:
- log Pow
- Temp.:
- 30 °C
- pH:
- 7.2
- Remarks on result:
- other: The log Kow was determined to be <1.1 to >10
- Details on results:
- The partition coefficient has been determined to be in the range of less than 12.6 to greater than 1 x 10^10, log Kow <1.1 to >10.
By area percentage normalisation, 33.0 % of the test material had a log Kow <1.1 to 10 and 67.0 % of the test material had a log Kow >10.
The calculated weighted average log Kow value is 8.61. - Conclusions:
- Under the conditions of this study, the partition coefficient of the test material has been determined to be in the range of less than 12.6 to greater than 1 x 10^10, log Kow <1.1 to >10. By area percentage normalisation, 33.0 % of the test material had a log10 Pow <1.1 to 10 and 67.0 % of the test material had a log Kow >10.
The calculated weighted average log Kow value is 8.61. - Executive summary:
The partition coefficient of the test material was determined in accordance with the standardized guidelines OECD 117, EU Method A.8 and US EPA OPPTS 830.7570 under GLP conditions using high performance liquid chromatography (HPLC).
During preliminary work, the calculated estimate of the partition coefficient indicated that the HPLC method was suitable for determination of partition coefficient for this test material.
The test material (0.5001 g) was diluted to 50 mL with methanol (MeOH) to give a concentration of 10.0 g/L. This solution was injected in duplicate along with the dead time and reference standard solutions. The log Pow of the test material was determined using a calibration curve constructed from 8 reference materials.
Under the conditions of this study, the partition coefficient of the test material has been determined to be in the range of less than 12.6 to greater than 1 x 10^10, log Kow <1.1 to >10. By area percentage normalization, 33.0 % of the test material had a log Kow <1.1 to 10 and 67.0 % of the test material had a log Kow >10.
The calculated weighted average log Kow value is 8.61.
Reference
Table 1: Summary of results
Peak number |
Partition coefficient |
Log Kow |
Mean area % |
1 |
<12.6 |
<1.1 |
1.67 |
2 |
<12.6 |
<1.1 |
1.00 |
3 |
94.5 |
2.98 |
3.17 |
4 |
1.15 x 10^4 |
4.06 |
2.61 |
5 |
5.18 x 10^4 |
4.72 |
3.18 |
6 |
2.58 x 10^5 |
5.41 |
4.85 |
7 |
4.23 x 10^5 |
5.63 |
0.20 |
8 |
7.77 x 10^5 |
5.89 |
1.60 |
9 |
1.43 x 10^6 |
6.16 |
0.18 |
10 |
2.19 x 10^6 |
6.34 |
0.79 |
11 |
1.43 x 10^7 |
7.16 |
4.18 |
12 |
4.37 x 10^7 |
7.64 |
0.75 |
13 |
1.88 x 10^8 |
8.27 |
6.80 |
14 |
5.71 x 10^8 |
8.76 |
0.41 |
15 |
1.92 x 10^9 |
9.28 |
1.17 |
16 |
2.77 x 10^9 |
9.44 |
0.52 |
17-31 |
>1 x 10^10 |
>10 |
67.0 |
Description of key information
Under the conditions of this study, the partition coefficient of the test material has been determined to be in the range of less than 12.6 to greater than 1 x 10^10, log Kow <1.1 to >10. By area percentage normalisation, 33.0 % of the test material had a log10 Pow <1.1 to 10 and 67.0 % of the test material had a log10 Pow >10. The calculated weighted average log Kow value is 8.61.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 8.61
- at the temperature of:
- 30 °C
Additional information
The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 117, EU Method A.8 and US EPA OPPTS 830.7570 under GLP conditions using high performance liquid chromatography (HPLC). The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
During preliminary work, the calculated estimate of the partition coefficient indicated that the HPLC method was suitable for determination of partition coefficient for this test material.
The test material (0.5001 g) was diluted to 50 mL with methanol (MeOH) to give a concentration of 10.0 g/L. This solution was injected in duplicate along with the dead time and reference standard solutions. The log Pow of the test material was determined using a calibration curve constructed from 8 reference materials.
Under the conditions of this study, the partition coefficient of the test material has been determined to be in the range of less than 12.6 to greater than 1 x 10^10, log Kow <1.1 to >10. By area percentage normalisation, 33.0 % of the test material had a log Kow <1.1 to 10 and 67.0 % of the test material had a log Kow >10.
The calculated weighted average log Kow value is 8.61.
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