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Diss Factsheets
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EC number: 271-559-8 | CAS number: 68585-53-5
- 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:
- 2018-03-29 to 2018-03-30
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD guideline 105 ("Water Solubility")
- Version / remarks:
- Adopted July 27, 1995
- Deviations:
- not applicable
- Principles of method if other than guideline:
- The determination of the log Pow using the respective OECD guideline methods was technically not feasible due to the intrinsic properties of the test item:
- The test item is a UVCB and the flask-shake (OECD TG 107) and slow-stir method (OECD TG 123) for determination the log Pow are not applicable to complex mixtures.
- The test item cannot be chromatographed under the conditions described in the HPLC-method (OECD Guideline 117) since it is insoluble in the solvents used for the reverse phase HPLC.
- The test item has no defined chemical structure; therefore the calculation of the log Pow with a QSAR tool is not possible.
Hence, the log Pow has to be estimated based on individual solubilities of the test item in water and n-octanol. - GLP compliance:
- no
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- other: observation of precipitated substance particles in n-octanol
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.1
- Temp.:
- 20 °C
- pH:
- ca. 3.2
- Remarks on result:
- other: pH as determined in water solubility study
- Key result
- Type:
- Pow
- Partition coefficient:
- < 0.25
- Temp.:
- 20 °C
- pH:
- ca. 3.2
- Remarks on result:
- other: pH as determined in water solubility study
- Details on results:
- Undissolved particles were still observed in the test item / n-octanol mixture at the concentration 1 mg test item / 4 L n-octanol after 24 hours.
Based on this observation, the solubility of the test item in n-octanol is less than 0.25 mg/L.
The solubility of the test item in water is 0.35 mg/L as determined in a separate GLP study (see "water solubility")
The Pow value of the test item is calculated by dividing the value for octanol solubility by the value for water solubility: Pow = <0.25 ml/L / 0.35 mg/L = <-0.1. - Conclusions:
- Considering the n-octanol/water solubility, the log Pow was estimated to be < -0.1.
- Executive summary:
The determination of the log Pow using the respective OECD guideline methods was technically not feasible due to the intrinsic properties of the test item:
- The test item is a UVCB and the flask-shake (OECD TG 107) and slow-stir method (OECD TG 123) for determination the log Pow are not applicable to complex mixtures.
- The test item cannot be chromatographed under the conditions described in the HPLC-method (OECD Guideline 117) since it is insoluble in the solvents used for the reverse phase HPLC.
- The test item has no defined chemical structure; therefore the calculation of the log Pow with a QSAR tool is no possible.
Hence, the log Pow has to be estimated based on individual solubilities of the test item in water and n-octanol. Considering the water solubility of 0.35 mg/L and the n-octanol solubility of < 0.25 mg/L a log Pow of <0.1 has been estimated.
Reference
Description of key information
Estimated log Pow based on the individual solubility of the test item in water and n-octanol:
log Pow < -0.1
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.1
- at the temperature of:
- 20 °C
Additional information
The test item is a UVCB substance with an unknown and highly complex composition. Therefore, neither the estimation of the log Pow by QSAR nor its determination with OECD Guideline 107 (shake flask method) is feasible. For the HPLC-method (OECD Guideline 117), which is the recommended method for mixtures, the structural formula of the test item should be known and the test item must be soluble in the mobile phase at a sufficient concentration. The test item does not meet those requirements since its structural formula is not known and it is insoluble in the mobile phases applicable for this method. Consequently, the HPLC-method (OECD Guideline 117) is also not feasible and the log Pow of the test item can only be estimated from its individual solubility in water and in n-octanol. Considering the water solubility of 0.35 +/- 0.01 mg/L (95% confidence interval) at 20 °C ± 1 °C and the octanol solubility of less than 0.25 mg/L a log Pow of < -0.1 has been estimated.
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.
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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