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EC number: 860-352-3 | CAS number: 1610350-91-8
- 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:
- from 2020-02-24 to 2020-07-15
- 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:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- < 0
- Temp.:
- 20 °C
- pH:
- >= 7.1 - <= 7.2
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -4.59
- Temp.:
- 20 °C
- pH:
- >= 7.1 - <= 7.2
- Conclusions:
- The partition coefficient at 20 °C of the test item was calculated from the solubilities of the test item in water and 1-octanol to be:
Pow = < 2.56E-5 and log Pow = < -4.59 - 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. With the estimated range of the water solubility of the test item estimated in the preliminary test (1061 - 2318 g/L) and the estimated solubility in 1-octanol (<0.2201 g/L), the partition coefficient can be estimated to be <-2. Therefore, the partition coefficient was calculated from the solubilities of the test item in 1-octanol and water. The water and 1-octanol samples were analysed using HPLC. The water solubility of the test item was determined to be 517 g/L. The 1-octanol solubility was determined to be <13.22 mg/L. Thus, the partition coefficient of the test item is calculated to be Pow = <2.56E-5 and the log Pow = <-4.59.
Reference
Preliminary Tests
According to the preliminary test at room temperature, the 1-octanol solubility of the test item was estimated to be < 0.2201 g/L.
Table 2: Preliminary test for the 1-octanol solubility
Amount of test item | Total volume of added | Stirring time at | Remark |
190 | 5 | 45 | not dissolved |
35 | 45 | not dissolved | |
30.82
| 10 | 970 | not dissolved |
40 | 55 | not dissolved | |
90 | 50 | not dissolved | |
140 | 340 | not dissolved |
With the estimated range of the water solubility of the test item estimated in a preliminary test (1061 -2318 g/L) and the estimated solubility in 1-octanol from this preliminary test, the partition coefficient can be estimated to be <2.
Due to this result, the partition coefficient in this study is calculated from the solubilities of the test item in the pure solvents water and 1-octanol. The solubility in 1-octanol is determined by the flask method analogous to EC A.6., OECD 105.
Main Test (flask method)
For the main test three flasks were prepared with an amount of test item and 1-octanol (1a, 2a and 3a), and one flask only with 1-octanol (4a, blank). After stirring and centrifugation the 1-octanol phases were measured by means of HPLC. The solution of each flask has been measured twice.
Table 3: Results of the flask method
Flask | 1a | 2a | 3a | 4a |
measured value [mg/L] | <13.22 | <13.22 | <13.22 | 0.00 / 0.00 |
average 1-octanol | <13.22 | <13.22 | <13.22 | 0.00 |
mean value of the 1-octanol solubility [mg/L] | <13.22 | 0.00 | ||
standard deviation [mg/L] | - | - | ||
relative standard deviation | - | - |
The mean measured concentration in 1-octanol was determined to be below the LOD of <13.22 mg/L.
To verify the accuracy of the analytical method two freshly prepared standard solutions (prepared with the test item) were measured in between the samples of the flask method.
Table 4: Measurement of standard solutions
Standard solution | Measured value [mg/L] | Recovery rate [%] |
Standard-Ü1 (117.4) | 117.9 | 100.4 |
118.3 | 100.8 | |
Standard-Ü2 (108.6) | 108.2 | 99.6 |
106.8 | 98.3 |
The recovery rate of the measured standard solutions was in the range from 98.3 % to 100.8 % which shows a very good accuracy of the analytical method.
The water solubility of the test item was determined to be 517 g/L. The 1-octanol solubility was determined to be <13.22 mg/L. Thus, the partition coefficient of the test item is calculated to be
Pow = <2.56 x 10-5
log Pow = < -4.59
Description of key information
The partition coefficient at 20 °C of the test item was calculated from the solubilities of the test item in water and 1-octanol to be: Pow = < 2.56E-5 and log Pow = < -4.59 (reference 4.7-1)
Key value for chemical safety assessment
Additional information
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. With the estimated range of the water solubility of the test item estimated in the preliminary test (1061 - 2318 g/L) and the estimated solubility in 1-octanol (<0.2201 g/L), the partition coefficient can be estimated to be <-2. Therefore, the partition coefficient was calculated from the solubilities of the test item in 1-octanol and water. The water and 1-octanol samples were analysed using HPLC. The water solubility of the test item was determined to be 517 g/L. The 1-octanol solubility was determined to be <13.22 mg/L. Thus, the partition coefficient of the test item is calculated to be Pow = <2.56E-5 and the log Pow = <-4.59.
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