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EC number: 680-227-5 | CAS number: 71449-78-0
- 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:
- 03 December 2018 to 10 June 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Remarks:
- As specified in the test guideline, since the shake flask method was not applicable the Pow was calculated from individual solubilities.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Remarks:
- As specified in the test guideline, since the shake flask method was not applicable the Pow was calculated from individual solubilities
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Remarks:
- As specified in the test guideline, since the shake flask method was not applicable the Pow was calculated from individual solubilities
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Remarks:
- As specified in the test guideline, since the shake flask method was not applicable the Pow was calculated from individual solubilities
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of Inspection: 21 August 2018 Date of Issue: 19 November 2018
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: not applicable
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.375
- Temp.:
- 20 °C
- Remarks on result:
- other: pH only reported for the water solubility test and not the octanol solubility test
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.426
- Temp.:
- 20 °C
- Remarks on result:
- other: pH only reported for the water solubility test and not the octanol solubility test
- Details on results:
- Solubility in n-octanol: 3.17E-02 g/L
Solubility in water: 8.45E-02 g/L - Conclusions:
- The partition coefficient of the cationic component of the test item has been estimated to be 0.375, log10 Pow of -0.426. The partition coefficient of the anionic component of the test item was not applicable due to it being inorganic.
- Executive summary:
The partition coefficient of the cationic component of the test item has been estimated to be 0.375, log10 Pow of -0.426, for the cationic component of the test item based on its solubility in n-octanol and water, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004. The partition coefficient of the anionic component of the test item was not applicable due to it being inorganic.
Reference
The test item is a salt comprised of an inorganic anion and an organic cation.
The partition coefficient of the anionic component was not determined as the test is not applicable to inorganic materials.
It was considered that the HPLC and shake-flask methods were not applicable to the test item. Trial injections had been performed to assess the HPLC method and this demonstrated very little tendency for the test item to retain on the column and may have only generated a less than value based on the reference standard with the lowest log10Pow (0.3). Preliminary assessment of the shake flask method considered the solubilities may be too low, especially if the test item as a whole was required to dissolve to prepare a stock solution.
Therefore, an estimation of the partition coefficient was calculated based on the solubility of the test item (cationic component) in n-octanol and water.
Description of key information
Pow 0.375, log Pow -0.426; EU Method A.8 (estimation based on individual solubilities in n-octanol and water); Fox J M (2019)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.426
- at the temperature of:
- 20 °C
Additional information
The Log Kow reported corresponds to the cationic part of the substance. It is not feasible to determine the Log Kow for the anionic part of the substance, since it is inorganic.
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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