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EC number: 931-038-4 | CAS number: -
- 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:
- Study initiation date: 24 June 2009 Study completion date: 28 October 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study performed according to relevant guideline compliant with GLP
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- >= 6.1 - <= 7.1
- Temp.:
- 25 °C
- pH:
- 7.5
- Details on results:
- The test item is a mixture of several components. For these mixtures which result in an unresolved band, upper and lower limits of log Pow are determined.
- Conclusions:
- Partition coefficient n-octanol / water (Pow): Pow = 1.26* 10^6 to 1.26 * 10^7 / log Pow = 6.1 to 7.1
(upper and lower limits of the test item mixture) - Executive summary:
The partition coefficient n-octanol / water (Pow) of the test item was determined compliant with GLP according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method.
Partition coefficient n-octanol / water (Pow): Pow = 1.26 *10^6 to 1.26 *10^7 / log Pow = 6.1 to 7.1 (upper and lower limits of the test item mixture).
Reference
Summary of the results of the HPLC measurements of the reference compounds and the test item:
Sample |
t_R1 [min] |
t_R2 min] |
t_R [min] |
k' |
log k'(x) |
log Pow (y) |
0 |
1.18 |
1.18 |
1.18 |
-- |
-- |
-- |
1 |
1.55 |
1.55 |
1.55 |
0.314 |
-0.503 |
1.72) |
2 |
2.05 |
2.04 |
2.05 |
0.737 |
-0.133 |
3.22) |
3 |
3.45 |
3.45 |
3.45 |
1.924 |
0.284 |
4.13) |
4 |
25.75 |
25.75 |
25.75 |
20.822 |
1.319 |
7.94) |
5 |
7.90 |
7.90 |
7.90 |
5.695 |
0.755 |
6.52) |
6 |
4.28 |
4.28 |
4.28 |
2.627 |
0.419 |
4.62) |
Lower limit of log Pow |
||||||
Test item |
8.29 |
|
|
6.025 |
0.780 |
6.135) |
Test item |
|
8.29 |
|
6.025 |
0.780 |
6.135) |
Mean value |
|
|
|
|
|
|
Upper limit of log Pow: |
||||||
Test item |
14.93 |
|
|
11.653 |
1.066 |
7.115) |
Test item |
|
14.93 |
|
11.653 |
1.066 |
7.115) |
Mean value |
|
|
|
|
|
|
1) For the names of the reference compounds see table section "Any other information on materials and methods incl. tables"
2) Results from the OECD guideline for the testing of chemicals No. 117: "Partition Coefficient (n-octanol/water), HPLC method" (13 April 2004).
3) Results from: M. Harnisch et al.: J. Chromatogr. 282, 315-333 (1983).
4) Results from: W. Klein et al.: Chemosphere Vol. 17 No. 2, 361-386 (1988).
5) Interpolated from linearized function log Pow = f(log k' ) of the calibration data:
y = 3.4483 * x + 3.4362, correlation coefficient r = 0.9911
The test item is a mixture of several components. For these mixtures which result in an unresolved band, upper and lower limits of log Pow are determined. The log Pow-values of the test item replicates fall within a range of ± 0.1 units, thus the test is satisfactory.
Description of key information
Partition coefficient n-octanol / water (Pow) (OECD 117 / EU A.8):
Pow = 1.26 *10^6 to 1.26 *10^7
log Pow = 6.1 to 7.1
(upper and lower limits of the test item mixture)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.6
- at the temperature of:
- 25 °C
Additional information
The partition coefficient n-octanol / water (Pow) of the test item was determined compliant with GLP according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method. A mobile phase 4:1 (v/v, i.e. 80/20) methanol-water was used successfully to shift the applicability of the method to the more hydrophobic range. This option for modification is provided for in OECD 117. The good correlation coefficient between log K and log Pow of 0.9911 confirms the applicability of the modified method to log Pow values up to 7.9.
Partition coefficient n-octanol / water (Pow): Pow = 1.26 *10^6 to 1.26 *10^7 / log Pow = 6.1 to 7.1 (upper and lower limits of the test item mixture). The geometric mean Pow (arithmetic mean of log-values) is used for chemical safety assessment: log Pow 6.6
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