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EC number: 204-671-2 | CAS number: 124-02-7
- 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:
- Experimental Starting Date: 24 July 2015 Experimental Completion Date: 29 September 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.226
- Temp.:
- 23 °C
- pH:
- 7
- Remarks on result:
- other: The partition coefficient of the test item at pH 7 has been determined to be 0.226 and a log10 Pow of -0.653 at 23.0 ± 0.5 °C.
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.653
- Temp.:
- 23 °C
- pH:
- 7
- Remarks on result:
- other: The partition coefficient of the test item at pH 7 has been determined to be 0.226 and a log10 Pow of -0.653 at 23.0 ± 0.5 °C.
- Conclusions:
- Please see the Executive Summary Section below for the Conclusion.
- Executive summary:
The determination was carried out using the shake-flask method, designed to be compatible with Method A8 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.
The test system consisted of an aqueous and an n-octanol phase in the same vessel. A defined amount of test item was added (pre-dissolved in the appropriate phase). Partition of the test item between both phases was achieved by repeated inversion of the mixture. The temperature was in the range of 20 to 25 °C and kept constant (± 1 °C).
Conclusion
The partition coefficient of the test item at pH 7 has been determined to be 0.226 and a log10 Powof -0.653 at 23.0 ± 0.5 °C. The test item was tested in its ionized form.
Reference
Results
Please see Attachment 1 of this Summary for the Typical Chromatography.
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Table 3.13 – Organic Phase
Solution |
Mean Peak Area |
Standard 63.1 mg/L |
3.1828 x 104 |
Standard 52.6 mg/L |
2.6200 x 104 |
Organic phase matrix blank |
none detected |
Sample 1 |
8.5135 x 103 |
Sample 2 |
8.2355 x 103 |
Sample 3 |
1.9837 x 104 |
Sample 4 |
2.0774 x 104 |
Sample 5 |
3.5068 x 104 |
Sample 6 |
3.1786 x 104 |
Stock solution A |
2.1689 x 104 |
Stock solution B |
2.3972 x 104 |
Table 3.14 – Aqueous Phase
Solution |
Mean Peak Area |
Standard 126 mg/L |
6.3078 x 104 |
Standard 105 mg/L |
5.4426 x 104 |
Aqueous phase matrix blank |
none detected |
Sample 1 |
1.6731 x 104 |
Sample 2 |
2.0093 x 104 |
Sample 3 |
2.9632 x 104 |
Sample 4 |
3.1075 x 104 |
Sample 5 |
7.1262 x 104 |
Sample 6 |
5.3558 x 104 |
The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:
Table 3.15
Sample Number |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
Analyzed Concentration (mg/L) |
Weight (mg)† |
Analyzed Concentration (mg/L) |
Weight (mg)† |
pH |
|||
1 |
50.1 |
67.9 |
3.74 |
329 |
36.2 |
7.0 |
79.7 |
2 |
50.1 |
65.7 |
3.61 |
395 |
43.4 |
7.0 |
94.0 |
3 |
82.0 |
158 |
14.2 |
582 |
52.4 |
7.1 |
81.3 |
4 |
82.0 |
166 |
14.9 |
611 |
55.0 |
7.1 |
85.3 |
5 |
87.4 |
280 |
26.9 |
1.40 x 103 |
67.3 |
7.2 |
108 |
6 |
87.4 |
254 |
24.3 |
1.05 x 103 |
50.5 |
7.2 |
85.7 |
pH of the (buffered) n-octanol
saturated water: 7.0
Temperature: 23.0 ± 0.5
°C
The partition coefficient determined for each sample is shown in the following table:
Table 3.16
Sample Number |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:2 |
0.207 |
-0.685 |
0.186 |
2 |
0.166 |
-0.779 |
||
3 |
1:1 |
0.272 |
-0.566 |
0.272 |
4 |
0.271 |
-0.567 |
||
5 |
2:1 |
0.200 |
-0.700 |
0.220 |
6 |
0.241 |
-0.619 |
Mean Pow: 0.226 log10Pow: -0.653 Powstandard deviation: 0.042
* From analysis of the stock solution
† From analysis of the respective phase
Validation
Organic phase: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 10 to 100 mg/L. The results were satisfactory with a correlation coefficient (r) of 0.998 being obtained.
Aqueous phase: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 20 to 200 mg/L. The results were satisfactory with a correlation coefficient (r) of 0.999 being obtained.
Description of key information
The partition coefficient of the test item at pH 7 has been determined to be 0.226 and a log10 Pow of -0.653 at 23°C. The test item was tested in its ionized form and will be essentially ionized throughout the environmentally relevant pH range (5.5 to 7.5).
An estimated log Kow (log Pow) of 1.11 has been determiend for the test item in its unionized form.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.653
- at the temperature of:
- 23 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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