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EC number: 211-541-9 | CAS number: 660-68-4
- 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:
- 14 Sep - 12 Oct 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Partition coefficient of the test item was calculated based in the ratio of its water solubility and its octanol solubility (based on OECD 105).
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.8 (Partition Coefficient - Calculation Method)
- Version / remarks:
- Partition coefficient of the test item was calculated based in the ratio of its water solubility and its octanol solubility (based on OECD 105).
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Storage conditions: ambient temperature (10 – 30 °C)
- Analytical method:
- titration method
- Type:
- log Pow
- Partition coefficient:
- ca. -1.3
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not reported
- Executive summary:
The partition coefficient (n-octanol/water) was estimated based on the ratio of the individual solubilities of the test item in water and n-octanol. The solubilities were determined according to the flask method described in the european Commission Regulation (EC) No. 440/2008, A.6. and in the OECD Guideline 105. According to the above described method the logPow is -1.3 at 20°C.
Reference
Results
Preliminary visual estimation of n-octanol solubility
Table 1 – Visual estimation results
Test item amount [mg] |
Added n-octanol volume [mL] |
Total n-octanol volume [mL] |
Stirring time [h] |
Mixture appearance |
10.6 |
10 |
10 |
0.5 |
Dissolved |
25.0 |
0 |
2 |
Dissolved |
|
115.5 |
0 |
17 |
Undissolved (some crystals) |
According to this preliminary test, the test item solubility in n-octanol is at least < 12 g/L (without correction for the purity).
Calculation of partition coefficient from the preliminary test
In the preliminary test reported in reference 4.8 -1, the water
solubility was found to be cs= 884 g/L. Thus, log POWwas
found to be < -1.9.
Using the program KOWWIN, the calculated value was: log POW< -2.3
Determination of n-octanol solubility – Flask Method
Table 2 – n-Octanol Solubility Experiments
Experiment |
24 h experiment |
48 h experiment |
72 h experiment |
Blank experiment (72 h) |
Test item amount [g] |
2.92 |
2.95 |
2.90 |
-- |
Octanol amount [mL] |
50 |
|||
Stirring time at 30 °C |
24 |
48 |
72 |
72 |
Measured chloride concentration [% m/m] |
0.7 |
1.0 |
0.8 |
< 0.01 |
The n-octanol solubility of test item at 20 °C was determined to be 0.8 % m/m chloride.
Calculation of the partition coefficient from the individual
solubilities
In the study reported in reference 4.8 -1, the water solubility of the
test item at 20 °C was determined to be 16.5 % m/m chloride. Therefore
the partition coefficient of the test item was calculated to be:
log POW= -1.3
Description of key information
log POW= -1.3 at 20 °C (EU Method A.8., Calculation Method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.3
- at the temperature of:
- 20 °C
Additional information
The partition coefficient (n-octanol/water) was estimated based on the ratio of the individual solubilities of the test item in water and n-octanol. The solubilities were determined according to the flask method described in the european Commission Regulation (EC) No. 440/2008, A.6. and in the OECD Guideline 105.
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