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EC number: 205-518-2 | CAS number: 142-03-0
- 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:
- supporting study
- Study period:
- from 2015-05-27 to 2015-12-07
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: Inductively coupled plasma optical emission spectrometry (ICP-OES)
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.6
- Temp.:
- 30 °C
- pH:
- 4.7
- Details on results:
- The program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was -0.6. This value is only valid for Aluminiumhydroxidacetat-Hydrat.
- Conclusions:
- It was not possible to determine the partition coefficient using the individual solubilities of the test item in water and n-octanol. The program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was -0.6. This value is only valid for Aluminiumhydroxidacetat-Hydrat.
- Executive summary:
A study was conducted in accordance with OECD TG 107 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the flask method. Two solutions of the test substance was prepared in n-octanol (7.1 mg in 10 and 100 mL) as a preliminary test. In both solutions the test substance was not dissolved. A determination of the solubility of the test substance in n-octanol was measured with flask method according to the OECD guideline 105. Three paralel experiments with the test substance and one blank experiment were performed for 24, 48 and 72 h (blank only 72 h). After equilibration, aliquotes of the mixtures were taken and centrifuged for 30 minutes with 15000 rpm at 20 °C and the aluminium content in the water extracts was determined by means of ICP-OES. As the test item is a complex substance and in analogy to the water solubility, it can be assumed that the components of the test item would also show different solubilities in n-octanol depending on the initial concentration. Therefore, an estimation of the partition coefficient using the single solubilities of the test item in water and n-octanol was not possible and not sensible as well. Hence, the partition coefficient log Pow of the test item was calculated with KOWWIN to be log Pow = -0.6. This value is only valid for Aluminiumhydroxidacetat-Hydrat.
Reference
Preliminary visual estimation of the n-octanol solubility:
Defined amounts of the test item were stirred with increasing volumes of n-octanol at room temperature and visually checked for any undissolved parts.
Table 1: 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 |
7.1 |
10 |
10 |
2 |
undissolved |
90 |
100 |
~ 19 |
undissolved |
According to this preliminary test the solubility of the test item in n-octanol was below 71 mg/L (without correction for the purity).
Calculation of the partition coefficient log Pow from the preliminary test:
The program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was -0.6. This value is only valid for Aluminiumhydroxidacetat-Hydrat.
Determination of the solubility in n-octanol: Flask method:
The test item is a complex substance. As a representative parameter for the solubility of the complete test item, the concentration (cs) of aluminum formed at equilibrium under a defined set of conditions (temperature, loading rate, stirring time) was determined.
After the equilibration time precipitate was observed in the flasks of the experiments excluding the blank experiment. After the equilibration time of the flask method, aliquots of the mixtures were taken and centrifuged (30 minutes with 15000 rpm at 20 °C). The concentration of aluminium in the water extracts of the test item was determined by means of ICP-OES.
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 / mg |
18.9 |
17.4 |
17.6 |
- |
Amount of distilled water / mL |
100 |
100 |
100 |
100 |
Stirring time at 30 °C / h |
24 |
48 |
72 |
72 |
Measured aluminium concentration / mg/L |
3.1 |
7.5 |
6.9 |
<0.1 |
Mean aluminium concentration of the experiments with a loading rate of approx. 0.2 g/L : 6 mg/L
Calculation of the partition coefficient log Pow from the individual solubilities:
The study for the determination of the water solubility showed in a first main test highly differing results and in a second main test an influence of the initial weight on the resulting water solubility. As the test item is a complex substance and in analogy to the water solubility, it can be assumed that the components of the test item would also show different solubilities in n-octanol depending on the initial concentration. Therefore, an estimation of the partition coefficient using the single solubilities of the test item in water and n-octanol was not possible and not sensible as well.
Description of key information
It was not possible to determine experimentally the partition coefficient using the individual solubilities of the test item in water and n-octanol. The program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was -0.63.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.63
- at the temperature of:
- 25 °C
Additional information
Using KOWWIN v1.68 the logPow of the test item was calculated to be -0.63 at 25 °C. The substance is not within the applicability domain of the model. Thus, the estimation may be less accurate (reference 4.7-1).
A study was conducted in accordance with OECD TG 107 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the flask method (reference 4.7-2). Two solutions of the test substance was prepared in n-octanol (7.1 mg in 10 and 100 mL) as a preliminary test. In both solutions the test substance was not dissolved. A determination of the solubility of the test substance in n-octanol was measured with flask method according to the OECD guideline 105. Three parallel experiments with the test substance and one blank experiment were performed for 24, 48 and 72 h (blank only 72 h). After equilibration, aliquotes of the mixtures were taken and centrifuged for 30 minutes with 15000 rpm at 20 °C and the aluminium content in the water extracts was determined by means of ICP-OES. As the test item is a complex substance and in analogy to the water solubility, it can be assumed that the components of the test item would also show different solubilities in n-octanol depending on the initial concentration. Therefore, an estimation of the partition coefficient using the single solubilities of the test item in water and n-octanol was not possible. Hence, the partition coefficient log Pow of the test item was calculated with KOWWIN to be log Pow = -0.63.
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