Registration Dossier
Registration Dossier
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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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EC number: 205-352-0 | CAS number: 139-08-2
- 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
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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:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- Computational approach in OECD Guideline 107
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Computational approach in EU A.8
- Deviations:
- no
- Principles of method if other than guideline:
- Firstly, the water solubility of the test substance was determined based on CMC and the n-octanol solubility. The partition coefficient was then calculated from ratio of the solubility of the test substance in octanol and water.
- GLP compliance:
- no
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: Computational approach
- Key result
- Type:
- Pow
- Partition coefficient:
- ca. 1 582.6
- Temp.:
- 20 °C
- Remarks on result:
- other: based on ratio of solubility in n-octanol and water/CMC
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 3.2
- Temp.:
- 20 °C
- Remarks on result:
- other: based on ratio of solubility in n-octanol and water/CMC
- Details on results:
- -Solubility of the test substance in n-octanol: >182 g/L (ref: Noguera, 2017)
-Solubility of the test substance in water (based on CMC): 101-115 mg/L (ref: Maike, 2018)
The log Pow was calculated according to the equation:
Pow= solubility of the test substance in n-octanol / solubility of the test substance in water
= 182000 mg/L / 115 mg/L
= 1582.6
Log Pow: 3.2 - Conclusions:
- Under the study conditions, the calculated partition coefficient (log Pow) of the test substance, based on solubility in n-octanol and water, was determined to be 3.2 at 20°C.
- Executive summary:
A study was conducted to determine partition coefficient of the test substance from the ratio of the solubility in n-octanol and water in accordance with guideline similar to OECD 107 and EU A.8. The water solubility of the test substance was determined to be 101 -115 mg/L based on critical micelle concentration (CMC) and the n-octanol solubility was determined to be >182 g/L. Under the study conditions, the calculated partition coefficient (log Pow) of the test substance, based on solubility in n-octanol and water, was determined to be 3.2 at 20°C (Lonza, 2017).
Reference
Description of key information
The partition coefficient of the test substance was determined from the ratio of the solubility in n-octanol and water in accordance with a guideline similar to OECD 107 and EU A.8 (Lonza, 2018).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.2
- at the temperature of:
- 20 °C
Additional information
Kow/Pow: 1516.7 at 20°C
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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