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EC number: 214-290-3 | CAS number: 1119-94-4
- 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:
- from 2018-05-23 to 2019-
- 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)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= -1.6 - <= -1.2
- Temp.:
- 20 °C
- pH:
- >= 4.3 - <= 4.6
- Conclusions:
- The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.
- Executive summary:
A study according to OECD 107 and EU Method A.8 was performed to determine the partition coefficient octanol/water of the test item. In the water solubility study was determined that the test item forms a jellylike solution when mixed with water which made the analytical measurements inapplicable. Therefore, the partition coefficient of the test item was estimated using the equation:
Pow = c(1–octanol)/c(water).
The water solubility of >954 g/L, determined in the water solubility study, and the solubility in octanol of 20.3 to 61.0 g/L, determined in this study, were used for the estimation of the partition coefficient.
According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.
Reference
Preliminary Test
The preliminary test at room temperature showed, that the octanol solubility of the test item was in the range of 20.3 g/L and 61.0 g/L.
Table1: Preliminary test for the octanol solubility
Amount of test item [mg] |
Total volume of added octanol [mL] |
Stirring time at RT [min] |
Remark |
610 |
10 |
30 |
not dissolved |
30 |
30 |
dissolved |
With the water solubility of >954 g/L, determined in the water solubility study, and the solubility in octanol of 20.3 to 61.0 g/L, determined from this preliminary test, the partition coefficient log POW was estimated to be between -1.2 and -1.6.
For the determination of the log POW in this range the shake flask method is recommended.
In the course of the water solubility study it was observed that the test item/water mixtures could not be stirred anymore and clear jellylike masses were formed. Since no homogenization of the mass could be assured, no analytical measurements of the masses were performed. In addition, based on the surfactant properties of the test item, the phase separation between octanol and water was expected to be influenced. Thus, no main test was performed and an estimation of the partition coefficient octanol water was performed.
According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.
Description of key information
The partition coefficient octanol/water of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.
Key value for chemical safety assessment
Additional information
A study according to OECD 107 and EU Method A.8 was performed to determine the partition coefficient octanol/water of the test item. In the water solubility study was determined that the test item forms a jellylike solution when mixed with water which made the analytical measurements inapplicable. Therefore, the partition coefficient of the test item was estimated using the equation:
Pow = c(1–octanol)/c(water).
The water solubility of >954 g/L, determined in the water solubility study, and the solubility in octanol of 20.3 to 61.0 g/L, determined in this study, were used for the estimation of the partition coefficient.
According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2 (reference 4.7-1).
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