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EC number: 444-960-2 | CAS number: 39148-16-8
- 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:
- 31 May - 11 Jul 2011
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hessisches Ministerium für Umwelt, Energie, Jugend, Familie und Gesundheit, Wiesbaden
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -2.5
- Temp.:
- 20 °C
- pH:
- >= 2.5 - <= 2.6
- Remarks on result:
- other: temperature given as "room temperature" and assumed ca. 20 °C; pH of the buffer phase
Reference
Concentrations in the six flasks and log Pow:
Experiment |
1A |
1B |
2A |
2B |
3A |
3B |
Volume of the test substance solution, mL |
20 |
20 |
20 |
20 |
20 |
20 |
Volume of the n-octanol phase, mL |
20 |
20 |
40 |
40 |
80 |
80 |
Volume of the buffer phase, mL |
20 |
20 |
20 |
20 |
20 |
20 |
Total volume of the buffer phase, mL |
40 |
40 |
40 |
40 |
40 |
40 |
Concentration found in n-octanol phase, mg/L |
2.95 |
1.99 |
1.21 |
0.64 |
0.68 |
1.41 |
Concentration found in buffer phase, mg/L |
353.83 |
349.43 |
353.79 |
367.01 |
356.45 |
354.12 |
Mass balance, % |
87 |
86 |
87 |
90 |
87 |
87 |
pH buffer phase |
2.6 |
2.6 |
2.5 |
2.5 |
2.5 |
2.5 |
Pow |
0.0084 |
0.0057 |
0.0034 |
0.0017 |
0.0019 |
0.0040 |
log Pow |
-2.08 |
-2.25 |
-2.47 |
-2.76 |
-2.72 |
-2.40 |
Average log Pow |
-2.16 |
-2.61 |
-2.56 |
|||
SD |
0.17 |
0.21 |
0.23 |
|||
RSD, % |
5.5 |
8.0 |
8.8 |
Average log Pow experiments from 1 to 3: -2.45; SD = 0.25, RSD = 10%.
A significant dependency of the partition coefficient on the concentration could not be observed.
For comparison, the partition coefficient was calculated from solubilities in water and n-octanol (flask-method for estimation) at 20 °C.
Solubility in water: 793.4 g/L
Solubility in n-octanol: two measurements, 4.834 (A) and 5.013 mg/L (B)
Log Pow: -2.22 (A) and -2.20 (B); mean -2.21; in a good agreement with the shake-flask method.
Description of key information
log Pow = -2.5 at 20 °C, pH of the buffer phase 2.5-2.6
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.5
- at the temperature of:
- 20 °C
Additional information
The partition coefficient of the substance was determined according to OECD Guideline 107 and EU Method A.8 (shake flask method).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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