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Diss Factsheets
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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:
- 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)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Other quality assurance:
- other: Not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 25 °C
- pH:
- 6.9
- Remarks on result:
- other: (100 area % of the test item)
- Type:
- log Pow
- Partition coefficient:
- >= 4 - <= 6
- Temp.:
- 25 °C
- pH:
- 6.9
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 25 °C
- pH:
- 6.9
- Remarks on result:
- other: The partition coefficient of the main component (Peak 5 - approx. 78 area %)
- Conclusions:
- The partition coefficient (logPow) was between 4.0 and 6.0 measured at 25 °C. Area % weighted log Pow for all peaks of the substance calculated with the area % of each detected HPLC peak and its corresponding log Pow value was 5.6 (average) (100 area % of the substance) (Neuland, 2016).
- Executive summary:
The partition coefficient was determined by the HPLC-method according to OECD TG 117. The substance is described as a mixture of several components (isomers and/or oligomers) according to the data of the sponsor. The chromatogram of the test item showed a mixture of 6 partially resolved peaks. For each of the 6 peaks detectable with the HPLC method individual log Pow values were determined. The partition coefficient of the substance was determined to be between 4.0 and 6.0. The partition coefficient of the main component of the test item was determined to be 5.6. Area % weighted log Pow for all peaks of the test item calculated with the area % of each detected HPLC peak and its corresponding log Pow value log Pow (average) was 5.6 (100 area % of the test item). In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow-value of the test item determined within this study also refers to 25 °C.
Reference
Description of key information
The partition coefficient (logPow) was between 4.0 and 6.0 measured at 25 °C. Area % weighted log Pow for all peaks of the substance calculated with the area % of each detected HPLC peak and its corresponding log Pow value was 5.6 (average) (100 area % of the substance) (Neuland, 2016).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.6
- at the temperature of:
- 25 °C
Additional information
The substance is a mixture of components represented by an idealized structure of the main component according to the data of the sponsor. The pka value of the main component (exemplarily of one of the potential isomers) was calculated with the software ACD/Percepta 14.0.0. The calculated pKa value was 12.3 ± 0.2 (deprotonation of the OH function). Therefore the nonionic form exists at pH values < 11.3. For this reason the measurement was performed at approx. pH 7 (aqueous part of the mobile phase), which is relevant for the natural environment.
In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow -value of the test item determined within this study also refers to 25 °C.
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