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EC number: 276-634-9 | CAS number: 72391-23-2
- 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
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:
- 2014
- 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:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- other: Shake flask and HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: AT-29381400 - Analytical method:
- other: UV/VIS method
- Type:
- Pow
- Partition coefficient:
- 1.39
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Type:
- log Pow
- Partition coefficient:
- 0.144
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Details on results:
- Individual Results:
Preliminary Visual Estimation of the n-octanol solubility: Different amounts 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 10 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
With the data obtained from the experiments in chapter 3.5.1 (cs = 10 g/l) and in the preliminary test (water solubility: cs = 1.02 g/l) the partition coefficient was calculated as log Pow 1.0. - Conclusions:
- The partition coefficent n-octanol/water of the FAT 20200/C at 20 °C was determined to:
Pow = 1.39
Log Pow = 0.144 - Executive summary:
Determination of the partition coefficient n-octanol / water of the FAT 20200/C was carried out according to OECD 107 and OECD 117 guidelines. The partition coefficient P ow estimated from the saturation concentrations in n-octanol and water by the following equation:
P ow = csoctanol/cswater
s= saturation
While determination of the solubility in the n-Octanol phase was carried out as per Flask method. A stock solution of the test item was prepared in water: 15,3 mg/100 ml. Three different experiments (double determination) was started with following ratios of octanol/water: A (1:1); B (1:2); C (2:1). After phase separation by centrifugation, the total concentration of the test substance was determined by VIS-spectroscopy (597 nm) at 20 °C in each phase.
Based on the study results, the partition coefficent n-octanol/water of the FAT 20200/C at 20 °C, POW was 1.39 and Log POW was 0.144
Reference
Determination of the solubility in the n-Octanol phase: Flask Method:
The values of the measured concentrations of the test item in n-octanol is 26.7 g/l.
With the data obtained from the experiments in chapter 3.5.3 (cs = 26.7 g/l) and in the preliminary test (water solubility: cs = 1.02 g/l) the partition coefficient was calculated as log Pow 1.41.
The recovery of 101.1 % indicates a sufficient accuracy of the analytical method.
Shake Flask method:
A stock solution of the test item was prepared in water: 15.3 mg/100 ml.
Three different experiments (double determination) was started with following ratios of octanol/water: A (1:1); B (1:2); C (2:1)!
After phase separation by centrifugation, the total concentration of the test substance was determined by VIS-spectroscopy (597 nm) at 20 °C in each phase.
Description of key information
Determination of the partition coefficient n-octanol / water of the FAT 20200/C was carried out according to OECD 107 and OECD 117 guidelines.The partition coefficient P ow estimated from the saturation concentrations in n-octanol and water by the following equation:
P ow = csoctanol/cswater
s= saturation
While determination of the solubility in the n-Octanol phase was carried out as per Flask method. A stock solution of the test item was prepared in water: 15.3 mg/100 ml. Three different experiments (double determination) was started with following ratios of octanol/water: A (1:1); B (1:2); C (2:1). After phase separation by centrifugation, the total concentration of the test substance was determined by VIS-spectroscopy (597 nm) at 20 °C in each phase. Based on the study results, the partition coefficent n-octanol/water of the FAT 20200/C at 20 °C, POW was 1.39 and Log POW was 0.144
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.144
- at the temperature of:
- 20 °C
Additional information
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