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EC number: 439-910-1 | CAS number: 93705-66-9
- 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:
- 13 June 2006 to 05 July 2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 14 600
- pH:
- 6.6
- Remarks on result:
- other: column temperature was 30°C
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.17
- pH:
- 6.6
- Remarks on result:
- other: column temperature was 30°C
- Conclusions:
- Under the conditions of the study the partition coefficient of the test material was determined to be 14600.
- Executive summary:
The octanol-water partition coefficient of the test material was investigated in a study which was conducted in accordance with the standardised guideline EU Method A.8, under GLP conditions, according to the HPLC Method.
Under the conditions of the study the Pow of the test material was determined to be 14600, the Log10 Pow was determined to be 4.17.
Reference
Preliminary estimate
Approximate solubility in n-octanol: 0.163 g/L
Approximate solubility in water: < 0.0072 g/L
Approximate Pow > 22.7, Log10Pow >1.36
Calibration
The retention times of thiourea and the retention times, capacity factors (k) and log10 Pow values for the reference standards are shown in the following table:
Dead time/ standard |
Mean retention time (mins) |
Capacity factor (k) |
Log10 k |
Log10 Pow |
thiourea |
2.488 |
|
|
|
benzyl alcohol |
2.928 |
0.177 |
-0.752 |
1.1 |
benzonitrile |
3.368 |
0.954 |
-0.451 |
1.6 |
benzene |
4.158 |
0.6781 |
-0.173 |
2.1 |
toluene |
4.895 |
0.968 |
-1.43 x 10-2 |
2.7 |
naphthalene |
5.499 |
1.21 |
8.30 x 10-2 |
3.6 |
DDT |
15.694 |
5.31 |
0.725 |
6.5 |
The retention times, capacity factors and log10 Pow values determined for the sample are shown in the following table:
Injection |
Mean retention time (mins) |
Capacity factor (k) |
Log10 k |
Log10 Pow |
1 |
6.529 |
1.63 |
0.211 |
4.16 |
2 |
6.540 |
1.63 |
0.212 |
4.17 |
Description of key information
Under the conditions of the study the Pow of the test material was determined to be 14600, the Log10 Pow was determined to be 4.17.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.17
Additional information
The octanol-water partition coefficient of the test material was investigated in a study which was conducted in accordance with the standardised guideline EU Method A.8, under GLP conditions, according to the HPLC Method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
Under the conditions of the study the Pow of the test material was determined to be 14600, the Log10 Pow was determined to be 4.17.
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