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EC number: 816-312-2 | CAS number: 92343-70-9
- 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:
- 28 May - 12 Jun 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:
- other: EU Method A.8 Partitition coefficient n-octanol/water
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 7.2
- Temp.:
- 20 °C
- Remarks on result:
- other: no information on pH provided
- Conclusions:
- The partition coefficient n-octanol/water of the test item was determined to be: log Pow > 7.2.
- Executive summary:
The partition coefficient (n-octanol/water) was estimated based on the ration of the individual solubilities of the test item in water and n-octanol. The solubilities of the test item in water and in n-octanol were determined according to the European Commission Regulation (EC) No. 440/2008, A.6. and to the OECD Guideline 105. The partition coefficient log Pow of the test item at 20 °C was determined to be: log Pow > 7.2.
Reference
Preliminary Visual Estimation of the n-Octanol Solubility
Different amounts of the test item were stirred with increasing amounts of n-octanol at room temperature and visually checked for any undissolved parts.
Table 1. Appearance of the test mixture
Amount of the test item in g |
Total amount of the test item in g |
Volume n-octanol (total volume) in mL |
Stirring time in min |
Appearance of mixture |
0.011 |
0.011 |
2 |
40 |
dissolved |
0.079 |
0.090 |
2 |
35 |
dissolved |
0.758 |
0.848 |
2 |
0 |
dissolved |
The solubility of the test item in n-octanol is at least 424 g/L (without correction for the purity).
The estimated partition coefficient was calculated with the water solubility data (cs = 31.1 μg/L) and the data indicated in table 1. lt was calculated to be: log Pow > 7.1.
In addition the program kowwinnt (part of Episuite from SRC) was used to calculate the log Pow of the test item. The calculated value was 7.7 for the test item.
Determination of the solubility in n-octanol according to the flask method
Due to the very high solubility of the test item in n-octanol observed in the preliminary test (see above) it was not practicable to use the fivefold quantity determined in the preliminary test in the main test. Therefore about the 2.5 fold quantity of the preliminary test was weighed into each of three glass vessels for the performance of the main test.
As after the performance of the main test all test item was dissolved in n-octanol only a range of the n-octanol solubility can be given as result of the n-octanol solubility of the test item.
Table 2: n-octanol solubility experiments of the test item
Experiment |
24 h experiment |
48 h experiment |
72 h experiment |
Blank experiment (72 h) |
Amount of test item (g) |
5.28 |
5.67 |
5.55 |
-- |
Amount of octanol (mL) |
5 |
5 |
5 |
5 |
Stirring time at 30°C (h) |
24 |
48 |
72 |
72 |
Aliquot of the flasks (mL) |
0.25 |
0.25 |
0.25 |
0.25 |
First dilution to (mL) |
10 |
10 |
10 |
10 |
Aliquot of the flasks (mL) |
0.25 |
0.25 |
0.25 |
0.25 |
Second dilution to (mL) |
10 |
10 |
10 |
10 |
Final dilution factor |
1600 |
1600 |
1600 |
1600 |
Measured concentration (mg/L) |
> 259.1/ > 266.2 |
> 271.2/ > 256.9 |
> 296.0 > 304.4 |
-- / -- |
Mean concentration (mg/L) |
> 262.7 |
> 264.0 |
> 300.2 |
-- |
n-octanol solubility (g/L) |
> 420 |
> 422 |
> 480 |
-- |
The n-octanol solubility of the test item at 20°C was determined to be > 480 g/L.
Hence, the partition coefficient Pow was estimated from the individual solubility in n-ocatanol and water by the following equation: Pow = Cs (octanol)/ Cs (water). The partition coefficient Pow of the test item was determined to be log Pow > 7.2.
Description of key information
log Pow > 7.2 at 20 °C
Key value for chemical safety assessment
Additional information
The partition coefficient (n-octanol/water) was estimated based on the ration of the individual solubilities of the test item in water and n-octanol. The solubilities of the test item in water and in n-octanol were determined according to the European Commission Regulation (EC) No. 440/2008, A.6. and to the OECD Guideline 105. The partition coefficient log Pow of the test item at 20 °C was determined to be: log Pow > 7.2.
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