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EC number: 229-653-1 | CAS number: 6640-22-8
- 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:
- 21 MAR 2013 - 20 JUN 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- European Commission Regulation (EC) No. 440/2008
- Deviations:
- no
- 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
- GLP compliance:
- no
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -3.2
- Temp.:
- 20 °C
- pH:
- 7
- Conclusions:
- The log Pow was found to be -3.2.
- Executive summary:
The partition coefficient n-octanol/water of the test substance was determined according to EU Method A.8 and OECD Guideline 107 in a non-GLP study via the solubility ratio. The solubilities of the test item in water and n-octanol was determined via HPLC with the flask-method. The Pow was found to be -3.2.
Reference
Preliminary Visual Estimation of the Water Solubility
Different amounts of the test item and water were treated with ultrasound or stirred at room temperature until the mixture appeared dissolved or the water solubility could be estimated to be below 10 mg/L. Results in the following table:
Amount of test item in mg |
Total volume in mL |
Appearance of mixture |
85.9 |
0.1 |
undissolved1) |
0.5 |
undissolved1) |
|
1.0 |
dissolved1) |
1): After adding the indicated amount of water, the solution was treated with ultrasound for 10 minutes.
According to the preliminary visual estimation the water solubility of the test item is above 86 g/L.
Preliminary Visual Estimation of the n-Octanol Solubility
A defined amount of the test item was stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved parts.
Results in the following table:
Amount of test item in mg |
Volume n-octanol (total volume) in mL |
Stirring time in min |
Appearance of mixture |
18.5 |
10 |
55 |
undissolved |
100 |
58 |
undissolved |
|
300 |
158 |
undissolved |
The solubility of the test item in n-octanol is < 0.062 g/L (without correction of the purity).
Calculation of the Partition Coefficient log Pow based on preliminarey solubility tests and Estimation via EPI Suite:
The partition coefficient Pow may be estimated from the saturation concentrations in n-octanol and water by the following equation:
Pow = csoctanol / cswater
where: csoctanol < 0.062 g/L; Concentration measured in n-octanol phase at saturation
cswater = 86 g/L; Concentration measured in water phase at saturation
With the mentioned data the partition coefficient was calculated as: logPow<-3.1.
Therefore the partition coefficient n-octanol/water of the test item at room temperature was calculated from the individual solubilities of the test item in the aqueous phase and in n-octanol. The individual solubility in n-octanol was determined by the flask-method via HPLC.
In addition the program kowwinnt (part of episuite from SRC) was used for calculating the log Pow of the test item. The EPI (Estimation Programs Interface) Suite was developed by the EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC). The calculated value was log Pow = 1.2 for the test item.
Determination of the solubility of the test item in water and n-octanol via HPLC and flask method:
The water solubility of the test item at 20 °C was determined to be 43 g/L (SD = 1 g/L).
The octanol solubility of the test item was determined to be 0.029 g/L.
Calculation of the Partition Coefficients log Pow from the Individual Solubilities
Saturation concentration of the test item in n-octanol: 0.029 g/L.
Saturation concentration of the test item in the aqueous phase: 43 g/L
The partition coefficient n-octanol/aqueous phase of the test item at 20 °C was determined to be: log Pow = -3.2
Description of key information
The partition coefficient n-octanol/water of the test substance was determined according to EU mMethod A.8 and OECD Guideline 107 in a non-GLP study via the solubility ratio. The solubilities of the test item in water and n-octanol was determined via HPLC with the flask-method. The Powwas found to be -3.2.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.2
- at the temperature of:
- 20 °C
Additional information
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