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EC number: 268-500-3 | CAS number: 68109-88-6
- 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:
- 12 June 2012 to 15 November 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- > 3 160 000
- Temp.:
- 20 °C
- pH:
- >= 2.6 - <= 2.7
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 20 °C
- pH:
- >= 2.6 - <= 2.7
- Details on results:
- PRELIMINARY ESTIMATE
Approximate solubility in n-octanol: ≥49.9 % w/w
Approximate solubility in water: <1.05 x 10^-4 % w/w
Approximate Pow: >4.75 x 10^5
Log10 Pow: >5.68 - Conclusions:
- Under the conditions of the study, the partition coefficient of the test material was determined to be greater than 3.16 x 10⁶. The log10 Pow was determined to be >6.5.
- Executive summary:
The partition coefficient of the test material was determined in accordance with standardised guidelines OECD 117 and EU Method A.8 using the HPLC method. Under the conditions of the study, the partition coefficient of the test material was determined to be greater than 3.16 x 10⁶ while the log10 Pow was determined to be greater than 6.5.
Reference
Table 1: Retention Times of the Dead Time
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.611 |
1.613 |
1.612 |
Table 2: Retention Times, Capacity Factors and Log10 Pow Values for the References Standards
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k') |
Log10 k' |
Log10 Pow |
|
Injection 1 |
Injection 2 |
|||||
Benzene |
2.909 |
2.897 |
2.903 |
0.801 |
-0.0964 |
2.1 |
Toluene |
3.646 |
3.624 |
3.635 |
1.255 |
0.0986 |
2.7 |
Naphthalene |
4.165 |
4.131 |
4.148 |
1.573 |
0.197 |
3.6 |
Phenanthrene |
6.414 |
6.346 |
6.380 |
2.958 |
0.471 |
4.5 |
Triphenylamine |
14.403 |
14.335 |
14.369 |
7.914 |
0.898 |
5.7 |
DDT |
21.388 |
21.448 |
21.418 |
12.287 |
1.09 |
6.5 |
Table 3: Retention Times, Capacity Factor and Log10 Pow of Sample
Injection |
Mean Retention Time (mins) |
Capacity Factor (k') |
Log10 k' |
Log10 Pow |
1 |
30.073 |
>12.287 |
>1.09 |
>6.5 |
2 |
30.060 |
>12.287 |
>1.09 |
>6.5 |
Description of key information
Log Pow = >3.16 x 10⁶, Log10 Pow = >6.5, OECD 117, EU Method A.8, Fox 2012
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
Additional information
The partition coefficient of the test material was determined in accordance with standardised guidelines OECD 117 and EU Method A.8 using the HPLC method. Under the conditions of the study, the partition coefficient of the test material was determined to be greater than 3.16 x 10⁶ while the log10 Pow was determined to be greater than 6.5. The study was conducted to GLP and was reported to a high standard. The study was assigned a reliability score of 1 in accordance with the criteria of Klimisch (1997) and was considered suitable as an accurate reflection of the test material.
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