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EC number: 944-232-9 | CAS number: -
- 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:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- April 28, 2015 - April 29, 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction
In a preliminary test the octanol solubility of the test item was checked. Because of the low solubility of the test item in water (see project 20150043.05) and in n-octanol the HPLC method or the flask method would be the appropriate method for the determination of the partition coefficient. This method could not be applied because the test item was not soluble in any applicable solvent. Therefore there was no appropriate analytical method for the determination of the content of the test item. Thus the partition coefficient (n-octanol/water) was estimated based on calculation with the program KOWWIN v1.68 (part of EPI Suite) - Reason / purpose for cross-reference:
- reference to same study
- Remarks:
- experimental part
- Principles of method if other than guideline:
- In a preliminary test the octanol solubility of the test item was checked. Because of the low solubility of the test item in water (see project 20150043.05) and in n-octanol the HPLC method or the flask method would be the appropriate method for the determination of the partition coefficient. This method could not be applied because the test item was not soluble in any applicable solvent. Therefore there was no appropriate analytical method for the determination of the content of the test item. Thus the partition coefficient (n-octanol/water) was estimated based on calculation with the program KOWWIN v1.68 (part of EPI Suite)
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: Not applicable
- Key result
- Type:
- log Pow
- Partition coefficient:
- 12.23
- Remarks on result:
- other: Temp. and pH not specified
- Conclusions:
- The partition coefficient log Pow of the test item was estimated to be: log Pow = 12.23
- Executive summary:
In a preliminary test the octanol solubility of the test item was checked. Because of the low solubility of the test item in water (see project 20150043.05) and in n-octanol the HPLC method or the flask method would be the appropriate method for the determination of the partition coefficient. This method could not be applied because the test item was not soluble in any applicable solvent. Therefore there was no appropriate analytical method for the determination of the content of the test item. Thus the partition coefficient (n-octanol/water) was estimated based on calculation with the program KOWWIN v1.68 (part of EPI Suite)
The partition coefficient (n-octanol/water) was estimated based oncalculation with the program KOWWIN v1.68 (part of EPI Suite)
The partition coefficient log Powof the test item was estimated to be:
log POW=12.23
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- April 28, 2015 - April 29
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Remarks:
- Log Pow calculation
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- water solubility
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Principles of method if other than guideline:
- In a preliminary test the octanol solubility of the test item was checked. Because of the low solubility of the test item in water (see project 20150043.05) and in n-octanol the HPLC method or the flask method would be the appropriate method for the determination of the partition coefficient. This method could not be applied because the test item was not soluble in any applicable solvent. Therefore there was no appropriate analytical method for the determination of the content of the test item. Thus the partition coefficient (n-octanol/water) was estimated based on calculation with the program KOWWIN v1.68 (part of EPI Suite)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: due to the insolubility of the test substance in water or organic solvents, no appropriate analytical method is available
- Type:
- log Pow
- Remarks on result:
- not determinable
- Remarks:
- due to the insolubility of the test substance in any solvent, an analytical determination of the log Pow is not possible
- Executive summary:
The partition coefficient (n-octanol/water) could bot be analytically determined.
Referenceopen allclose all
The partition coefficient was calculated with the program KOWWIN v1.68 (part of EPI Suite)to be: log POW = 12.23.
Result
Preliminary visual estimation of the n-octanol solubility
A defined amount of 2.2 mg of the test item was stirred with increasing volumes of n‑octanol at room temperature and visually checked for any undissolved parts. As the test-mixtures showed a turbidity, the 2nddilution step was filtrated over double HPLC-filters, in order to decide whether the test item was dissolved or not.
Table1:Results of the preliminary visual estimation of the n-octanol solubility
Amount of test item / mg |
Added volume of n-octanol / mL |
Total volume of n-octanol / mL |
Stirring time / h |
Appearance of mixture |
2.2 |
10 |
10 |
2.5 |
Turbid, slightly black |
90 |
100 |
19 |
Turbid slightly black, after filtration clear slightly yellow |
According to the preliminary test, the solubility of the test item in n-octanol is below 22 mg/L.
Discussion
Because of the low solubility of the test item in water (see project 20150043.05) and in n-octanol the HPLC method or the flask method would be the appropriate method for the determination of the partition coefficient. This method could not be applied because the test item was not soluble in any applicable solvent. Therefore there was no appropriate analytical method for the determination of the content of the test item. Thus the partition coefficient was calculated with the program KOWWIN v1.68 (part of EPI Suite)to be: log POW = 12.23. (see RSS for QSAR calculation)
Description of key information
Key value was determined by estimated based on calculation with the program KOWWIN v1.68 (part of EPI Suite).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 12.23
- at the temperature of:
- 25 °C
Additional information
The test item was not soluble in any applicable solvent. Therefore there was no appropriate analytical method for the determination of the content of the test item. Thus the partition coefficient (n-octanol/water) was estimated based on calculation with the program KOWWIN v1.68 (part of EPI Suite).
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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