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EC number: 291-174-9 | CAS number: 90342-37-3
- 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:
- Experimental starting date: 13 April, 2015; Experimental completion date: 17 April, 2015; Study completion date: 22 April, 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Identification: FAT 45082/I TE
- Lot. JL1101V5C
- Appearance: Black powder - Analytical method:
- high-performance liquid chromatography
- Key result
- Remarks on result:
- other: Not determinable
- Details on results:
- None
- Conclusions:
- The n-octanol/water partition coefficent for FAT 45082/I at 20 °C, from the individual solubility in water and n-octanol, was not determinable.
- Executive summary:
The n-octanol/water partition coefficient of FAT 45082/I was evaluated in a study conducted according to OECD Guidelines 107 and 117 as well as EU Method A.8. Due to the fact, that the water solubility is below the LoQ, the partition coefficient n-octanol/water has to be estimated from the individual solubility in water and n-octanol. However, both individual solubility in water and n-octanol were found to be below the limit of quantification (<1 μg/L) for the test substance. Hence, the n-octanol/water partition coefficent for FAT 45082/I at 20 °C, from the individual solubility in water and n-octanol, was not determinable.
Reference
Preliminary Visual Estimation of the n-octanol solubility:
1 mg of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.
Table: Appearance of the test mixtures
Amount of test item in mg | Volume in ml | Total volume in ml | Stirring time | Appearance of mixture |
1 | 5 | 5 | 60 min | undissolved |
1 | 10 | 10 | 60 min | undissolved |
1 | 100 | 100 | 60 min | undissolved |
According to this preliminary test the solubility of the test item in n-octanol is below 10 mg/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 experiment (cs <10 mg/l) and in the preliminary test (water solubility: cs <1 μg/l) the partition coefficient can´t be calculated as log Pow. Due to the fact, that the water solubility is below the LoQ, the partition coefficient n-octanol/water has to be estimated from the individual solubility in water and n-octanol.
Determination of the solubility in the n-Octanol phase: Flask Methods
Solubility of the test item – experiments A to D:
Experiment | A | B | C | D(blank) |
Amount of test item (mg) | 100 | 100 | 100 | -- |
Stirring time at 30 °C (h) | 24 | 48 | 72 | 72 |
Aliquot of the flasks (mL) | undiluted | undiluted | undiluted | undiluted |
Measured concentration (μg/L) | n.d. (<1 μg/L) | n.d. (<1 μg/L) | n.d. (<1 μg/L) | -- |
Solubility (μg/L) | <1 | <1 | <1 | -- |
Concentrations of the standards for recheck:
Standard | Measured concentration (μg/l) | % Recovery |
Standard 1 (c = 1 μg/L) | 1.1 | 110 |
The recovery of 110 % indicates a sufficient accuracy of the analytical method.
Calculation of the partition coefficient log Pow from the individual solubilities:
By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: <1 μg/L. By means of the flask method, the saturation concentration of the test item in water was determined to: <1 μg/L.
Calculation of the partition coefficient from the individual solubility:
Pow = cs octanol/cs water | Pow | Log Pow |
| Not determinable | Not determinable |
Description of key information
The n-octanol/water partition coefficient of FAT 45082/I was evaluated in a study conducted according to OECD Guidelines 107 and 117 as well as EU Method A.8. Due to the fact, that the water solubility is below the LoQ, the partition coefficient n-octanol/water has to be estimated from the individual solubilities in water and n-octanol. However, both individual solubility in water and n-octanol were found to be below the limit of quantification (<1 μg/L) for the test substance. Hence, the n-octanol/water partition coefficent for FAT 45082/I at 20 °C, calculated based on the individual solubility in water and n-octanol, was not determinable.
Key value for chemical safety assessment
Additional information
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