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EC number: 238-778-0 | CAS number: 14726-36-4
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Reason / purpose for cross-reference:
- assessment report
- Reason / purpose for cross-reference:
- assessment report
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Technically not feasible to measure the partition coefficient with OECD 107, therefore the individual solubility of the test substance in 1-octanol will be measured according to OECD 105.
- GLP compliance:
- no
- Remarks:
- Not applicable
- Type of method:
- estimation method (solubility ratio)
- Remarks:
- Ratio between the experimental solubility in water and experimental value of solubility in a saturated octanol solution
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.29
- Temp.:
- 20 °C
- Remarks on result:
- other: Calculation is provided in 'Any other information on results incl. tables'
- Conclusions:
- The LogKow of the test substance was calculated to be 4.29 at 20 ˚C using the ratio between the experimental solubility in water and the experimental value of solubility in a saturated 1-Octanol solution.
- Executive summary:
Due to technical difficulties, the partition coefficient was not measured according to a standard guideline. Instead, it was calculated using the ratio between the experimental values of solubility in a saturated Octanol solution and solubility in water according to REACH Guidance R7a. The water solubility of the substance was determined to be 2.30 µg/L at 20 ˚C using the column elution method following OECD TG 105 and in compliance with GLP (Arkema 2013). The mean 1-octanol solubility for the test substance at 20 ºC was 44.7 ± 0.88 mg/L using the shake flask method following OECD TG 105 and EPA OPPTS 830.7840, and in compliance with GLP (Eurofins 2021). Based on these results, the Kow of the substance at 20 ˚C was calculated to be 19434.78, and LogKow was 4.29.
Reference
Due to technical difficulties, the partition coefficient was not measured according to a standard guideline. Instead, it was calculated using the ratio between the experimental values of solubility in a saturated Octanol solution and solubility in water according to REACH Guidance R7a.
The water solubility of the substance was determined to be 2.30 µg/L at 20 ˚C using the column elution method in accordance with OECD TG 105 and in compliance with GLP (Arkema 2013). The mean 1-octanol solubility for the test substance at 20 ºC was 44.7 ± 0.88 mg/L using the shake flask method following OECD TG 105 and EPA OPPTS 830.7840, and compliance with GLP (Eurofins 2021).
The Kow of the substance at 20 ˚C = the solubility of the substance in 1-octanol at 20 ˚C / the solubility of the substance in water at 20 ˚C = 44.7 mg/L / 2.30 µg/L = 19434.78
Thus, LogKow = 4.29
Description of key information
The LogKow of the test substance was calculated to be 4.29 at 20 ˚C using the ratio between the experimental solubility in water and the experimental value of solubility in a saturated 1-Octanol solution.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.29
- at the temperature of:
- 20 °C
Additional information
Due to technical difficulties, the partition coefficient was not measured according to a standard guideline. The difficulties and efforts that have been taken to overcome these difficulties are addressed in two expert statements. These statements are attached to the study record. The partition coefficient was calculated using the ratio between the experimental values of solubility in a saturated Octanol solution and solubility in water according to REACH Guidance R7a. It was not possible to use a QSAR prediction since ZBEC is out of the applicability domain of such models.
The water solubility of the substance was determined to be 2.30 µg/L at 20 ˚C using the column elution method following OECD TG 105 and in compliance with GLP (Arkema 2013). The mean 1-octanol solubility for the test substance at 20 ºC was 44.7 ± 0.88 mg/L using the shake flask method following OECD TG 105 and EPA OPPTS 830.7840, and in compliance with GLP (Eurofins 2021). Based on these results, the Kow of the substance at 20 ˚C was calculated to be 19434.78, and LogKow was 4.29.
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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