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EC number: - | 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:
- 03 February 2021 to 22 March 2021
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- The stock solution was prepared in n-octanol saturated water in place of water saturated n-octanol. Testing was performed with sulfonic acid group of the test item in its ionised form.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- yes
- Remarks:
- The stock solution was prepared in n-octanol saturated water in place of water saturated n-octanol. Testing was performed with sulfonic acid group of the test item in its ionised form.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.31
- Temp.:
- 20.2 °C
- pH:
- 2.4
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.005
- Temp.:
- 20.2 °C
- pH:
- 2.4
- Details on results:
- The preliminary estimate of the log10Pow was calculated to be -1.1.
- Conclusions:
- The partition coefficient of the test item at pH 2.4 has been determined to be 0.00487 at 20.2 ± 0.5 °C, log10 Pow -2.31, with the sulfonic acid group of the test item in its ionized form.
- Executive summary:
The partition coefficient of the test item at pH 2.4 has been determined to be 4.87 x 10-3 at 20.2 ± 0.5 °C, log10 Pow -2.31 with the sulfonic acid group of the test item in its ionized form using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No. 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Reference
Definitive Test
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Table 2: Organic Phase
Solution | Mean Peak Area |
Standard 2.96 mg/L | 6.3753 x 105 |
Standard 2.79 mg/L | 5.8918 x 105 |
Organic phase matrix blank | None detected |
Organic Sample 1 | 5.5130 x 105 |
Organic Sample 2 | 5.4419 x 105 |
Organic Sample 3 | 5.5767 x 105 |
Organic Sample 4 | 5.4752 x 105 |
Organic Sample 5 | 5.5054 x 105 |
Organic Sample 6 | 5.5465 x 105 |
Table 3: Aqueous Phase
Solution | Mean Peak Area |
Standard 12.3 mg/L | 2.7298 x 106 |
Standard 11.1 mg/L | 2.3291 x 106 |
Aqueous phase matrix blank | None detected |
Aqueous Sample 1 | 2.2924 x 106 |
Aqueous Sample 2 | 2.3055 x 106 |
Aqueous Sample 3 | 2.2892 x 106 |
Aqueous Sample 4 | 2.2310 x 106 |
Aqueous Sample 5 | 2.3080 x 106 |
Aqueous Sample 6 | 2.2524 x 106 |
Stock Solution A | 2.2492 x 106 |
Stock Solution B | 2.2611 x 106 |
The analyzed concentration (mg/L) and test item weight (mg) of the respective phases are shown in the following table:
Table 4
Flask | Total Weight (mg)* | Organic Phase | Aqueous Phase | % Recovery | |||
Analysed Concentration (mg/L) | Weight (mg)** | Analysed Concentration (mg/L) | Weight (mg)** | pH | |||
1 | 41.9 | 5.17 | 0.207 | 1.07 x 103 | 42.6 | 2.4 | 102 |
2 | 41.9 | 5.10 | 0.204 | 1.07 x 103 | 42.9 | 2.4 | 103 |
3 | 56.6 | 5.23 | 0.141 | 1.06 x 103 | 57.5 | 2.4 | 102 |
4 | 56.6 | 5.13 | 0.139 | 1.04 x 103 | 56.0 | 2.4 | 99.2 |
5 | 75.5 | 5.16 | 0.093 | 1.07 x 103 | 77.2 | 2.4 | 102 |
6 | 75.5 | 5.20 | 0.094 | 1.05 x 103 | 75.4 | 2.4 | 100 |
pH of n-octanol saturated water: 6.1
pH of stock solution: 2.5
Temperature: 20.2 ± 0.5°C
The partition coefficient determined for each flask is shown in the following table:
Table 5:
Flask | Organic/Aqueous Volume Ratio | Partition Coefficient | Log10Pow | Mean Partition Coefficient |
1 | 1:1 | 4.85 x 10-3 | -2.31 | 4.80 x 10-3 |
2 | 4.76 x 10-3 | -2.32 | ||
3 | 1:2 | 4.91 x 10-3 | -2.31 | 4.93 x 10-3 |
4 | 4.95 x 10-3 | -2.31 | ||
5 | 1:4 | 4.81 x 10-3 | -2.32 | 4.89 x 10-3 |
6 | 4.97 x 10-3 | -2.30 |
Mean Pow: 4.87 x 10-3
Log10Pow: -2.31
Pow standard deviation: 8.15 x 10-5
Validation
Organic phase: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 1.48 to 4.63 mg/L.
Aqueous phase: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 6.17 to 18.5 mg/L.
Description of key information
log10Pow -2.31 at 20.2°C, pH 2.4; Walker J. A. (2021)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.31
- at the temperature of:
- 20.2 °C
Additional information
The test was performed with the sulfonic acid group of the test item in its ionized form.
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