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EC number: 849-975-1 | 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:
- 09 October 2006 and 20 November 2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 1992
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.7
- Temp.:
- 25 °C
- pH:
- 6.6
- Details on results:
- During the preliminary test, the log Pow of the test material was estimated to be above 1.3. Thus having the free choice between both methods, the HPLC method was chosen to conduct the main test. Six common standards which have known log Pow values in the range of 1.1 to 3.0 were used as reference standards during the main test.
The test material solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice. The log Pow was calculated using a regression curve (log k’ vs log Pow) and was found to be 2.7.
The chromatography of the test material showed one main peak with a well-defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study.
Under the conditions of the study the n-octanol/water partition coefficient of the test material was determined to be log Pow = 2.7 using the HPLC method. - Conclusions:
- Under the conditions of the study the n-octanol/water partition coefficient of the test material was determined to be log Pow = 2.7.
- Executive summary:
The n-octanol water partition coefficient of the test material was assessed according to OECD Test Guidelines117 and EU Method A.8. using the HPLC method and in compliance with GLP.
During the preliminary test, the log Pow of the test material was estimated to be above 1.3. Thus having the free choice between both methods, the HPLC method was chosen to conduct the main test. Six common standards which have known log Pow values in the range of 1.1 to 3.0 were used as reference standards during the main test.
The test material solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice. The log Pow was calculated using a regression curve (log k’ vs log Pow) and was found to be 2.7.
The chromatography of the test material showed one main peak with a well-defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study.
Under the conditions of the study the n-octanol/water partition coefficient of the test material was determined to be log Pow = 2.7 using the HPLC method.
Reference
Retention Time in Minutes of the Reference and Test Materials
Substance |
1st run |
2nd run |
3rd run |
4th run |
5th run |
6th run |
Thiourea (dead time) |
1.183 |
1.172 |
|
|
|
|
Benzyl alcohol |
2.341 |
2.341 |
2.340 |
2.342 |
2.330 |
2.347 |
Benzonitrile |
2.977 |
2.990 |
2.976 |
2.982 |
2.971 |
2.992 |
Nitrobenzene |
4.185 |
4.193 |
4.184 |
4.189 |
4.185 |
4.215 |
Anisole |
6.062 |
6.055 |
6.058 |
6.069 |
6.075 |
6.114 |
Ethyl benzoate |
11.269 |
11.204 |
11.250 |
11.284 |
11.349 |
11.408 |
Bromobenzene |
15.528 |
15.392 |
15.472 |
15.524 |
15.649 |
15.680 |
Test material |
11.071 |
11.083 |
11.146 |
|
|
|
Results of Linear Regression of Log k’ vs Log Pow
Substance |
Number of analysis |
Mean retention time [min] |
k’ |
Log k’ |
Log Pow |
Thiourea (dead time) |
2 |
1.18 |
- |
- |
- |
Benzyl alcohol |
6 |
2.34 |
0.99 |
-0.01 |
1.1 |
Benzonitrile |
6 |
2.98 |
1.53 |
0.19 |
1.6 |
Nitrobenzene |
6 |
4.19 |
2.56 |
0.41 |
1.9 |
Anisole |
6 |
6.07 |
4.16 |
0.62 |
2.1 |
Ethyl benzoate |
6 |
11.29 |
8.59 |
0.93 |
2.9 |
Bromobenzene |
6 |
15.54 |
12.20 |
1.09 |
3.0 |
Linear regression |
slope |
0.616 |
|||
y-axis intercept |
-0.724 |
||||
coefficient of regression |
0.991 |
Results of Test Material Analysis
Number of analysis |
Retention time [min] |
k’ |
Log k’ |
Log Pow |
Mean Log Pow |
1 |
11.07 |
8.40 |
0.92439 |
2.7 |
2.7 |
2 |
11.08 |
8.41 |
0.92492 |
2.7 |
|
3 |
11.15 |
8.47 |
0.92767 |
2.7 |
The tabulated values represent rounded results which were obtained by calculation using the exact raw data.
Description of key information
Under the conditions of the study the n-octanol/water partition coefficient of the test material was determined to be log Pow = 2.7.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.7
- at the temperature of:
- 25 °C
Additional information
The n-octanol water partition coefficient of the test material was assessed according to OECD Test Guidelines117 and EU Method A.8. using the HPLC method and in compliance with GLP. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
During the preliminary test, the log Pow of the test material was estimated to be above 1.3. Thus having the free choice between both methods, the HPLC method was chosen to conduct the main test. Six common standards which have known log Pow values in the range of 1.1 to 3.0 were used as reference standards during the main test.
The test material solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice. The log Pow was calculated using a regression curve (log k’ vs log Pow) and was found to be 2.7.
The chromatography of the test material showed one main peak with a well-defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study.
Under the conditions of the study the n-octanol/water partition coefficient of the test material was determined to be log Pow = 2.7 using the HPLC method.
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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