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EC number: 290-714-0 | CAS number: 90218-39-6
- 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:
- April 05, 2018 - April 13, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD 105
- Deviations:
- not applicable
- Principles of method if other than guideline:
- OECD 105
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -6
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not determined
- Executive summary:
The partition coefficient (n-octanol/water) of the test item 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.The shake flask method and the HPLC method were not applicable due to the low log POW.
It was found to be:
log POW < -6.0
Reference
Preliminary visual estimation of the n-octanol solubility
A defined amount of the test item was stirred with n-octanol at room temperature and visually checked for any undissolved parts.
Table3: Results of the preliminary visual estimation of the n-octanol solubility
Amount of test item / mg |
Added volume of n-octanol / mL |
Total volume of n-octanol / mL |
Stirring time / h |
Appearance of mixture |
14.0 |
10 |
10 |
~16 |
not dissolved |
According to this preliminary test the solubility of the test item in n-octanol was below <1.4 g/L (without correction for the purity).
Calculation of the partition coefficient log POW rom the preliminary test
The partition coefficient POWmay be estimated from the saturation concentrations in n-octanol and water. The estimated partition coefficient was calculated with the water solubility data determined in project PS20170188 (cS ≥ 374 g/L) and the data obtained above. It was calculated to be: log POW -2.4.
Due to the calculations the partition coefficient was estimated based on the ratio of the solubilities in water and octanol. The octanol solubility was determined using the flask method.The shake flask method and the HPLC method were not applicable due to the low log POW.
Determination of the solubility in n-octanol: Flask method
The individual saturation solubility of the test item in n-octanol was performed within this study. After that, the partition coefficient was estimated based on the ratio of the test item solubility in n-octanol and water. The flask method was performed as described above. The data for the evaluation are given in Table4. The n-octanol solubility was calculated from the measured and unrounded concentration values and not from the rounded values given in Table4.
Table4: 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 / mg |
371.4 |
352.3 |
351.7 |
-- |
Amount of octanol / mL |
50 |
50 |
50 |
50 |
Stirring time at 30 °C / h |
24 |
48 |
72 |
72 |
Dilution factor |
40 |
40 |
40 |
40 |
Measured concentration / mg/L |
<0.00984 / <0.00984 |
<0.00984 / <0.00984 |
<0.00984 / <0.00984 |
-- / -- |
Mean concentration / mg/L |
<0.010 |
<0.010 |
<0.010 |
-- |
n-Octanol solubility / mg/L |
<0.394 |
<0.394 |
<0.394 |
-- |
The n-octanol solubility of the test item at 20 °C was determined to be<0.0004mg/L.
Calculation of the partition coefficient log POWfrom the individual solubilities
In theproject PS20170188-4the water solubility of the test item at 20 °C was determined to be ≥ 374 g/L. Within this project the n-octanol solubility of the test item at 20 °C was determined to be< 0.4 mg/L.
The partition coefficient POW of the test item was determined to be: log Pow < -6.0
Description of key information
The partition coefficient (n-octanol/water) of the test item 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.The shake flask method and the HPLC method were not applicable due to the low log POW.
It was found to be:
log POW < -6.0
Key value for chemical safety assessment
Additional information
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