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EC number: 937-739-1 | CAS number: 1128123-94-3
- 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:
- Testing was conducted between 15 June 2011 and 20 December 2011.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted 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. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- equivalent or similar 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
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -4.33
- Temp.:
- 22 °C
- pH:
- 5.1
- Details on results:
- See any other information on results incl. tables section.
- Conclusions:
- The partition coefficient of the test item has been determined to be 4.73E-05 at 22.0 ± 0.5°C, log10 Pow, -4.33.
- Executive summary:
Determination of partition coefficient 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 partition coefficient of the test item was determined to be 4.73 x 10-5at 22.0 ± 0.5°C (log Pow, -4.33).
Reference
Preliminary estimate
Approximate solubility in n-octanol: 1.10 x 10-2%
w/w
Approximate solubility in water : 61.8% w/w
Approximate Pow : 1.78 x 10-4
Log10Pow :
-3.75
Definitive test
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Organic Phase
Solution |
Mean Peak Area |
Standard 1.08 x 103mg/l |
7.280 x 108 |
Standard 860 mg/l |
4.938 x 108 |
Standard 645 mg/l |
3.331 x 108 |
Standard 662 mg/l |
3.132 x 108 |
Standard 430 mg/l |
1.963 x 108 |
Standard 215 mg/l |
6.058 x 107 |
Standard 108 mg/l |
2.366 x 107 |
Continued – Organic Phase
Solution |
Mean Peak Area |
Organic phase matrix blank |
0.000 |
Sample 1 |
1.100 x 106 |
Sample 2 |
1.240 x 106 |
Sample 3 |
1.286 x 106 |
Sample 4 |
1.729 x 106 |
Sample 5 |
1.747 x 106 |
Sample 6 |
1.205 x 106 |
Aqueous Phase
Solution |
Mean Peak Area |
Standard 1.04 x 103mg/l |
5.646 x 108 |
Standard 833 mg/l |
4.196 x 108 |
Standard 625 mg/l |
2.906 x 108 |
Standard 631 mg/l |
3.028 x 108 |
Standard 416 mg/l |
1.743 x 108 |
Standard 208 mg/l |
6.434 x 107 |
Standard 104 mg/l |
2.336 x 107 |
Aqueous phase matrix blank |
0.000 |
Sample 1 |
2.803 x 108 |
Sample 2 |
2.690 x 108 |
Sample 3 |
2.818 x 108 |
Sample 4 |
2.697 x 108 |
Sample 5 |
2.892 x 108 |
Sample 6 |
2.834 x 108 |
Stock solution A |
2.606 x 108 |
Stock solution B |
2.627 x 108 |
Please see attached background material for Calibration Curves.
The total weights (mg) and analysed concentration (mg/l) of the respective phases are shown in the following table:
Sample Number |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
|||
Analysed Concentration (mg/l) |
Weight (mg)† |
Analysed Concentration (mg/l) |
Weight (mg)† |
pH |
||
1 |
301 |
0.233 |
0.121 |
6.12 x 103 |
318 |
5.0 |
2 |
371 |
0.263 |
0.168 |
5.92 x 103 |
379 |
5.0 |
3 |
168 |
0.240 |
0.138 |
6.14 x 103 |
178 |
5.1 |
4 |
174 |
0.366 |
0.217 |
5.94 x 103 |
178 |
5.1 |
5 |
98.5 |
0.370 |
0.254 |
6.27 x 103 |
107 |
5.1 |
6 |
92.7 |
0.256 |
0.159 |
6.17 x 103 |
98.7 |
5.1 |
*From analysis of the stock solution
†From analysis of the respective phase
pH of n-octanol saturated water: 6.3
pH of stock solution: 5.1
Temperature: 22.0 ± 0.5°C
The partition coefficient determined for each sample is shown in the following table:
Sample Number |
Organic/Aqueous Volume Ratio (nominal) |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
10:1 |
3.81 x 10-5 |
-4.42 |
4.13 x 10-5 |
2 |
4.44 x 10-5 |
-4.35 |
||
3 |
20:1 |
3.90 x 10-5 |
-4.41 |
5.03 x 10-5 |
4 |
6.16 x 10-5 |
-4.21 |
||
5 |
40:1 |
5.90 x 10-5 |
-4.23 |
5.02 x 10-5 |
6 |
4.14 x 10-5 |
-4.38 |
Mean Pow : 4.73 x 10-5 log10Pow: -4.33 Pow standard deviation : 1.03 x 10-5
Validation
Recovery of analysis of the sample procedure was assessed and proved adequate for the test.
At a nominal concentration of 0.1 mg/l, a mean percentage recovery of 114% was obtained (range 106 to 120%).
Concentrations have not been corrected for recovery of analysis.
Description of key information
The partition coefficient of the test item has been determined to be 4.73 x 10-5 (log Pow, -4.33).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.33
- at the temperature of:
- 22 °C
Additional information
4.73 x 10-5 , log10 Pow -4.33 at 22.0 ± 0.5°C, using the 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.
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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