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EC number: 611-575-8 | CAS number: 577953-88-9
- 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:
- 13th Jan to 30th May 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.9
- Temp.:
- 20 °C
- Remarks on result:
- other: Result based on the Montelukast
- Type:
- log Pow
- Partition coefficient:
- 0.24
- Temp.:
- 20 °C
- Remarks on result:
- other: Result based on Dicyclohexylamine
- Conclusions:
- The Pow of the test substance was calculated to be 4.47 × 10ee3 (log Pow 3.65) for DCHA and for Montelukast the Pow of the test substance was calculated to be 1.66 × 10ee9 (log Pow 9.22) using the Rekker calculation method. The shake flask method pH7 was applied for the determination of the paritition coefficient (Pow) of Montelukast Dicyclohexylamine Salt. The Pow value of the test substance at 20°C was 1.4 (log Pow 0.2) based on Dicyclohexylamine and was 8.4 × 10ee4 (Log Pow 4.9) based on Montelukast.
It corresponds with a log P ow value of 0.2 based on Dicyclohexylamine and 4.9 based on Montelukast.
Reference
IV-3-1 Preliminary tests |
|
The preliminary test (saturation with each of the phases) leads to a value of log POwthat is close to 4, with the following as saturation concentrations: |
|
-- 109 mg/ml in the octanol; -- 11.5x10 -3 mg/ml in the water (indications provided by the principal). |
|
IV-3-2 Results |
|
The measuring of the partition coefficient POwis carried out at 23ºC ± 1ºC. The result is expressed as a function of its base 10 logarithm. |
|
The average of the values of log POwis: |
|
3.5 |
|
The interval ± 0.1 log unit is in accordance with the quality criteria of the Official Gazette of the European Communities no. L 383 A of 12/29/1992 (interval of ± 0.3 log units). |
Description of key information
One key study was completed for partition coefficient according to EC A.8 and OECD method 107 following GLP. As the substance is a salt a log Pow value was determined for the cationic and anioic portion of the substance. Based on Dicyclohexylamine the log Pow Value is 0.2 and based on Montelukast the log Pow is 4.9 at 20°C by the shake flask method.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.9
- at the temperature of:
- 20 °C
Additional information
The Pow of the test substance was calculated to be 4.47 × 10ee3 (log Pow 3.65) for DCHA and for Montelukast the Pow of the test substance was calculated to be 1.66 × 10ee9 (log Pow 9.22) using the Rekker calculation method. The shake flask method pH7 was applied for the determination of the paritition coefficient (Pow) of Montelukast Dicyclohexylamine Salt. The Pow value of the test substance at 20°C was 1.4 (log Pow 0.2) based on Dicyclohexylamine and was 8.4 × 10ee4 (Log Pow 4.9) based on Montelukast.
It corresponds with a log Pow value of 0.2 based on Dicyclohexylamine and 4.9 based on Montelukast.
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