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EC number: 221-618-9 | CAS number: 3164-29-2
- 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:
- 2015-11-02 to 2015-12-04
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Due to very low lipophilicity study could not be conducted according to OECD guidelines for this endpoint. Instead logPow was calculated by determination of solubilities in water and n-octanol seperately. Determination of water solubility was done according to EU Method A.6. (Water Solubility) and OECD Guideline 105, (Water Solubility). Determination of solubilitiy in n-octanol was based on the principle of EU Method A.6. (Water Solubility) and OECD Guideline 105, (Water Solubility). No information is given about the pH value in the test system.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: logPow was calculated by determination of solubilities in water and n-octanol separately. Determinations of water and octanol solubilities were done according to EU Method A.6. (Water Solubility) and OECD Guideline 105, (Water Solubility).
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Principles of method if other than guideline:
- Estimation based on determination of individual solubilities in n-octanol and water. The individual solubilities are conducted according to guideline EU Method A.6 and OECD guideline 105 for water solubility and based on these guidelines for n-octanol solubility determination.
- GLP compliance:
- no
- Type of method:
- other: based on determination of ratio n-octanol solubility vs. aqueous solubility. Solubility determination accordingto OECD guideline 105.
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -5.6
- Temp.:
- 20 °C
- Remarks on result:
- other: log Pow calculated by solubility(n-octanol)/solubility(water). Determined solubility in n-octanol 0.2mg/L
Reference
In the preliminary tests substance concentrations were 10 mg/L, 1 mg/L and 0.1 mg/L. Visual inspection showed that the mixture is not dissolved. Overall stirring time was about 24 hours. Combined with the preliminary solubility tests in water (solubility=116 g/L) calculated logPow < -3.1
In the main test, solubility in n-Octanol was determined by measuring ammonium concentration. The resulting ammonium concentrations were 0.2 mg/L at 20°C after 72 hrs stirring time. Concentrations for 24 and 48 hrs stirring time were <0.2 mg/L for 24 hrs and 48 hrs stirring time. Solubility of the test item in water was reported in test report reference [4.8.-1]. Ammonium concentration in water was determined to be 83900 mg/L. Calculated logPow = -5.6.
Description of key information
log POW= -5.6 at 20 °C (A.8. calculation method based on solubilities in water and n-octanol))
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -5.6
- at the temperature of:
- 20 °C
Additional information
Due to the low expected partition coefficient standard methods like shake-flask method or HPLC method could not be applied. Instead logPow was estimated by calculation of the ratios of test substance in octanol vs. water. Whereas solubility in water was already determined by another test (428 g/L at pH=6.2 and 20°C; see test report reference [4.8 -1]), solubility in 1-octanol was to be determined by this test. The test was based on OECD guideline 105 and EU Method A.6. and conducted in 3 different flasks with stirring times of 1, 2 and 3 days. In the 1 -octanol extracts, concentration of ammonium ions was determined. As analytical method ion chromatography with a conductivity detector was applied. The resulting logPow (-5.6) refers to 20°C and pH value of 6.2 of the aqueous phase.
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