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EC number: 276-602-4 | CAS number: 72363-26-9
- 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:
- 02 November 2015 - 25 November 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Test material identified as: FAT 40444/B TE
- Source and lot No.of test material: Lot: PCR92X140707
OTHER SPECIFICS:
- Appearance: Red powder - Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 84.59
- Temp.:
- 20 °C
- Remarks on result:
- other: pH was not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.88
- Temp.:
- 20 °C
- Remarks on result:
- other: pH was not specified
- Conclusions:
- The n-octanol / water partition coefficient (log Pow) of FAT 40444/B at 20 °C was determined to be 1.88.
- Executive summary:
The partition coefficient of FAT 40444/B was determined in a study conducted according to OECD Guideline 107, OECD Guideline 117 and EU Method A.8. The partition coefficient was estimated from the saturation concentrations in n-octanol and water.
According to this preliminary test the solubility of the test item in n-octanol is about 0.5 g/L (without correction of the purity).
Based on the findings of the main study, the n-octanol / water partition coefficient (log Pow) of the test item at 20 °C was determined to be 1.88 and Pow was 84.59.
Reference
Individual Results:
Preliminary Visual Estimation of the n-octanol solubility:
An amount of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles. According to this preliminary test the solubility of the test item in n-octanol is about 0.5 g/L (without correction of the purity).
Calculation of the partition coefficient log Pow from the preliminary tests:
The partition coefficient Pow may be estimated from the saturation concentrations in n-octanol and water by the following equation: Pow = cs octanol /cs water s=saturation. Based on the preliminary test results, octanol solubility (cs octanol) was calculated to be 0.5 g/L and the water solubility (cs water) was calculated as 8.1 mg/L. Hence, the partition coefficient was calculated as log POW 1.8.
Determination of the solubility in the n-octanol phase: Flask Method:
Average of 3 experiments: 0.71 g/L.
The recovery range from 97.8 % to 102.2 % indicates a sufficient accuracy of the analytical method.
Shake Flask Method:
A stock solution of the test item was prepared in n-octanol (pre-saturated with water): 10.0 mg / 100 mL. Three different experiments (double determination) were started with following ratios of octanol / water: A (1:1); B (2:1); C (1:2). After intensely shaking and subsequent phase separation by centrifugation, the total concentration of the test substance was determined by UV/VIS-spectroscopy (520 nm) at 20 °C in each phase.
Determination of the solubility in the n-Octanol phase: Flask Method
Solubility of the test item –experiments A to D
Experiment | A | B | C | D (blank) |
Amount of test item (mg) | 1000 | 1000 | 1000 | - |
Stirring time at 30 °C (h) | 24 | 48 | 72 | 72 |
Measured concentration (mg/l) | 7.8 | 6.3 | 7.1 | - |
Dilution | 0.1 ml/10ml | 0.1 ml/10ml | 0.1 ml/10ml | - |
n-Octanol solubility (g/l) | 0.78 | 0.63 | 0.71 | - |
Average experiments A to C: 0.71 g/l
Determination of Log Pow
Experiment Ratio octanol / water | A Ratio 1:1 | B Ratio 2:1 | C Ratio 1:2 |
Stock solution in mg/ml | 0.10 | 0.10 | 0.10 |
Stock solution (octanol) in ml | 4 | 8 | 4 |
Water (octanol-sat.) volume in ml | 4 | 4 | 8 |
Dilution (octanol phase) | 0.5/10 | 0.5/10 | 0.5/10 |
Dilution (water phase) | 1 | 1 | 1 |
Measured concentration n-octanol phase (mg/l) | 4.6 | 4.7 | 4.8 |
Measured concentration water phase (mg/l) | 1.1 | 2.5 | 0.7 |
n-Octanol solubility (g/l) | 0.0929 | 0.0946 | 0.0964 |
Water solubility (g/l) | 0.0011 | 0.0025 | 0.0007 |
POW | 86.42 | 37.86 | 129.49 |
Log POW | 1.94 | 1.58 | 2.11 |
Description of key information
The partition coefficient of FAT 40444/B was determined in a study conducted according to OECD Guideline 107, OECD Guideline 117 and EU Method A.8. The partition coefficient was estimated from the saturation concentrations in n-octanol and water. According to this preliminary test the solubility of the test item in n-octanol is about 0.5 g/L (without correction of the purity). Based on the findings of the main study, the n-octanol / water partition coefficient (log Pow) of the test item at 20 °C was determined to be 1.88 and Pow was 84.59.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.88
- at the temperature of:
- 20 °C
Additional information
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