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Diss Factsheets
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EC number: 300-326-6 | CAS number: 93925-25-8
- 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
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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:
- Between 03 November 2011 and 24 December 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Valid and conclusive guideline study under GLP
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- Commission Regulation (EC) No 440/2008 of 30 May 2008
- Deviations:
- yes
- Remarks:
- The mobile phase deviated from that specified in guideline of a minimum 25 % water.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- yes
- Remarks:
- see EU A.8 entry
- GLP compliance:
- yes
- Remarks:
- Department of Health of Government of the U.K., inspection 19-21 July 2011
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- > 9.4
- Temp.:
- 30 °C
- pH:
- 6.9
- Remarks on result:
- other: The test item eluted out of the calibration range.
- Type:
- Pow
- Partition coefficient:
- > 2 510 000 000
- Temp.:
- 30 °C
- pH:
- 6.9
- Remarks on result:
- other: Calculated from Log Pow
- Details on results:
- - Dead time: t0 = 1.55 min (mean of 2 measurements with thiourea)
- Retention time of the test item: tr = 55.65
- Calibration factor of the test item: k = > 29.2, extrapolated (55.65-1.55)/1.55 = 34.9
- Intercept of the calibration curve: A = -1.2395
- Slope of the calibration curve: B = 0.2894
- Coefficient of determination of the calibration curve: R² = 0.9907 - Conclusions:
- Partition coefficient > 2,510,000,000, Log Pow > 9.4 at 30 °C (higher than the upper application range limit of standard guideline protocols)
- Executive summary:
The n-octanol/water partition coefficient of the test item was investigated in a GLP-compliant study by HPLC comparison according to the EU A.4 (2008) and OECD TG 117 (2004) protocol. The mobile phase deviated from that specified in the EU A.8 and OECD 117 guidelines of minimum 25 % water. This was because additional reference standards were used that had higher Log Pow and substantially higher retention times. It was considered this had an insignificant effect on the result as the calibration curve showed a satisfactory correlation of fit. The experiment is deemed valid, conclusive and thus suitable for assessment without restrictions.
Benzyl Alcohol, Phenanthrene, DDT, 1-Phenyl Nonane, 1-Phenyl Dodecane and 1-Phenyl Tridecane were used as standard references. The correlation of fit of the established calibration curve (R²) was 0.9907 demonstrating the reliability of the method in the calibration range from Log Kow (i.e. Log Pow) 1.1 to 9.4. The column temperature was 30 °C.
The test item eluted in one distinctive peak out of the calibration range.
It can be concluded that the Log Kow (i.e. Log Pow) is greater than the upper range limit. Accordingly the lipophilicity of the submission item can be described by Log Kow > 9.4 (Kow > 2,510,000,000) at 30 °C.
Reference
Table 3: retention times, capacity factors and Log Pow values determined for the sample
Injection | Retention Time [min] | Capacity Factor (k) | Log k | Log Pow |
1 | 55.65 | > 29.2 | > 1.46 | > 9.4 |
2 | 55.65 | > 29.2 | > 1.46 | > 9.4 |
Description of key information
Higher than the upper application range limit of standard guideline protocols, Log Kow > 9.4 at 30 °C (EU Method A.8)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 9.4
- at the temperature of:
- 30 °C
Additional information
The n-octanol/water partition coefficient was investigated in a GLP-compliant study (Fox & White 2012, Harlan Report no. 41103263) by HPLC comparison according to the EU A.4 (2008) and OECD TG 117 (2004) protocol, with minor deviation to cover an extended calibration range. The study is considered valid, conclusive and suitable for assessment without restrictions.
The submission item components eluted in one distinctive peak out of the calibration range, which reached up to Log Kow (i.e. Log Pow) 9.4. Thus it can be concluded that the Log Kow is greater than the upper range limit. Accordingly the lipophilicity of the submission item can be described by Log Kow > 9.4 (Kow > 2,510,000,000) at 30 °C.
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Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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