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Diss Factsheets
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EC number: 219-145-8 | CAS number: 2372-82-9
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 2002; 2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: flask method - Method A6 of commission directive 92/69/EEC
- Principles of method if other than guideline:
- Method: calculated based on separate solubility of the substance in n-octanol and water.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.34
- Temp.:
- 20 °C
- Remarks on result:
- other: No information on pH
- Conclusions:
- Under the study conditions, the partition coefficient of the test substance (based on the separate solubilties) resulted in a log Kow of 0.34 at 20°C.
- Executive summary:
A study was conducted to determine the partition coefficient (Kow) of the test substance according to the EU Method A.6, in compliance with GLP. The partition coefficient was estimated based on comparing differences in n-octanol solubility and water solubility. Under the study conditions, the partition coefficient of the test substance (based on the separate solubilties) resulted in a log Kow of 0.34 at 20°C (Wooley, 2002).
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation.
- Principles of method if other than guideline:
- Method: calculated using KOWWIN
- GLP compliance:
- no
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.66
- pH:
- ca. 7
- Conclusions:
- Under the study conditions the log Kow of the test substance was calculated as -0.66 at pH 7.
- Executive summary:
A study was conducted to determine the partition coefficient (Kow) of the test substance using KOWWIN QSAR software of EPISuite v.3.12. The partition coefficient was found to depend on pH which in turn depends on protonation. At not protonated pH 10, the log Kow was 4.46, at one primary amine protonated pH, the log Kow was 2.52 and at two primary amines protonated pH ±7, the log Kow was -0.66. Under the study conditions, the log Kow of the test substance was calculated as -0.66 at pH 7 (Geurts, 2007).
Referenceopen allclose all
Log Kow can be estimated based on comparing differences in n-octanol solubility and water solubility.
Water solubility: substance was sold as 30 % in water solely; Study, using buffers with various pH, states that at about 46 % a clear solid gel resulted.
n-octanol solubility: Study determined solubility of 60-66 % at 20°C.
A worst case estimation uses 30% water solubility and 66% n-octanol solubility results to Kow = 2.2, and log Kow = 0.34.
Kow depends on pH depending protonation:
Not protonated: pH 10: Log Kow = 4.46
One primary amine protonated: pH n.a.: Log Kow = 2.52
Two primary amines protonated: pH ±7: Log Kow = -0.66
Description of key information
Determination of the partition coefficient (Kow) according to:
- EU Method A.6 (Wooley, 2004)
- QSAR (KOWWIN software of EPISuite v.3.12) (Geurts, 2007)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.34
- at the temperature of:
- 20 °C
Additional information
- 0.34 at 20°C (Wooley, 2004)
- 0.66 at pH 7 (Geurts, 2007)
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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