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EC number: 939-597-6 | CAS number: 68610-66-2
- 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:
- 25 - 31 Jul 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- GLP compliance:
- no
- Type of method:
- other: slow stirring
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 0.675
- Temp.:
- 25 °C
- pH:
- 4 - 4.02
- Remarks on result:
- other: RSD = 0.4 %
- Details on results:
- See "Any other information on results incl. tables"
Reference
Study results:
The concentration of the test item in the water and 1 -octanol phase was determined after 48, 50, 52 and 54 hours, ensuring that an equilibrium concentration was established in both phases. At each test time, three different test solutions were analyzed. The concentrations of the test item in the different test solutions are listed below:
Test solution |
Weighed sample, mg |
Volume 1-octanol, mL |
1 |
1.154 |
40 (32.8 g) |
2 |
1.152 |
40 (32.8 g) |
3 |
1.158 |
40 (32.8 g) |
Measured concentrations of the test item in the 1 -octanol and buffer solution phases of the three different test solutions at 4 different times are summarized in the following 2 tables.
Time, h |
Test solution 1, test item in mg/g 1-octanol |
Test solution 2, test item in mg/g 1-octanol |
Test solution 3, test item in mg/g 1-octanol |
48 |
6.223 |
6.188 |
6.245 |
50 |
6.222 |
6.198 |
6.282 |
52 |
6.251 |
6.239 |
6.234 |
54 |
6.178 |
6.212 |
6.244 |
Mean |
6.219 |
6.209 |
6.251 |
Time, h |
Test solution 1, test item in mg/g buffer solution |
Test solution 2, test item in mg/g buffer solution |
Test solution 3, test item in mg/g buffer solution |
48 |
1.305 |
1.307 |
1.334 |
50 |
1.311 |
1.307 |
1.334 |
52 |
1.310 |
1.304 |
1.335 |
54 |
1.311 |
1.311 |
1.320 |
Mean |
1.309 |
1.307 |
1.331 |
Equilibrium for all test solutions was established. The mass balance could be calculated on the basis of the measured concentrations of the test item (found value) and the corrected real sample weights of test item in 40 mL 1-octanol and 700 mL buffer solution after 54 hours.
|
Test solution 1 |
Test solution 2 |
Test solution 3 |
Weighed sample, mg |
1115 |
1113 |
1119 |
Found value, mg in 40 mL 1-octanol |
199.2 |
200.3 |
201.4 |
Found value, mg in 700 mL buffer solution |
915.6 |
916.1 |
925.8 |
Recovery, % |
100.0 |
100.3 |
100.7 |
The calculated value considers the real sample weight and the three time points of measurement before the 54 hours measurement. The real sample weight has to be corrected for the amounts of test item that has been removed from the octanol and aqueous phases for measurement.
Subsequently, the ratios of concentrations and their logarithms were calculated.
Time, h |
Test solution 1 |
Test solution 2 |
Test solution 3 |
|||
co/cw |
log (co/cw) |
co/cw |
log (co/cw) |
co/cw |
log (co/cw) |
|
48 |
4.768 |
0.678 |
4.734 |
0.675 |
4.681 |
0.670 |
50 |
4.747 |
0.676 |
4.743 |
0.676 |
4.710 |
0.673 |
52 |
4.773 |
0.679 |
4.786 |
0.680 |
4.670 |
0.669 |
54 |
4.711 |
0.673 |
4.737 |
0.675 |
4.729 |
0.675 |
The resulting mean values for the different test solutions are listed below.
Test solution |
Mean value co/cw |
Standard deviation |
Mean value log (co/cw) |
Standard deviation |
1 |
4.750 |
0.028 |
0.677 |
0.00460 |
2 |
4.750 |
0.024 |
0.677 |
0.00408 |
3 |
4.697 |
0.027 |
0.672 |
0.00709 |
mean |
4.732 |
|
0.675 |
|
RSD |
0.64% |
|
0.41% |
|
Description of key information
log Pow = 0.675 at 25 °C, pH = 4.00 - 4.02
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.675
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of the substance was determined using the slow stirring method according to OECD 123.
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