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Diss Factsheets
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EC number: 911-254-5 | 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:
- 2010-01-25
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Meets the requirements of GLP. There are no deviations from the recommended guideline.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- 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:
- 4.148
- Temp.:
- 22 °C
- pH:
- 5.5
- Details on results:
- The chromatogram of the test substance gave three peaks, two main peaks and another small peak. The corresponding log POW were determined with 2.348 (peak 1), 3.896 (peak 2), and 4.148 (peak 3). Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is believed that the test substance consists mainly of the third peak, indicating that the log Pow should be regarded as 4.148.
- Conclusions:
- The Partition Coefficient n-octanol/water calculated as log Pow for the test substance is 4.148.
- Executive summary:
The Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method was carried out for the test substance. The calibration graph log Pow versus log k has been established with six references substances recommended in the OECD guideline 117. The dead time towas measured by using thio-urea as un-retained compound. Three injections were measured from the reference item mix, three injections from the test substance solution and again three injections from the reference item mix. The pH of the test substance solution was 5.5 and the assay temperature 22 ºC. The chromatogram of the test substance gave three peaks. The corresponding log Pow were determined with 2.348 (peak 1), 3.896 (peak 2), and 4.148 (peak 3). Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is believed that the test substance consists mainly of the third peak, indicating that the log Pow should be regarded as 4.148.
Reference
Reference Items:
The values for log K and log Pow of the reference items were presented in the following table:
Compound |
log K |
log Pow |
Acetophenone |
-0.2958 |
1.70 |
Naphthalene |
0.4222 |
3.60 |
Diphenylether |
0.5889 |
4.20 |
Phenanthren |
0.7727 |
4.50 |
Fluoranthene |
0.9359 |
4.70 |
Triphenylamine |
1.2083 |
5.70 |
Correlation Results
Dead time was 1.508 ± 0.004 minutes, with RSD 0.24%.
The RSD of the retention times of the reference items lay all below 0.5 %.
Equation of the regression:
log k = 0.383 * log Pow - 0.95228979 (r2= 0.9904)
Test substance:
The validity criteria and results (mean ± sd) are presented in the following table:
Peak |
Parameter |
Criterion |
Found |
Assessment |
1 |
Range (Max - Min. log Pow) |
< 0.1 |
0.005 |
valid |
|
Value within Range of Ref. Items |
1.70-5.70 |
2.348±0.003 |
valid |
2 |
Range (Max - Min. log P0w) |
<0.1 |
0.004 |
valid |
|
Value within Range of Ref. Items |
1.70-5.70 |
3.896±0.002 |
valid |
3 |
Range (Max - Min. log P0w) |
<0.1 |
0.006 |
valid |
|
Value within Range of Ref. Items |
1.70-5.70 |
4.148±0.004 |
valid |
Description of key information
Key study: Experimental result: Test according to OECD 117 and EU method A8. GLP study.
log Pow 4.148 at 22 °C and pH 5.5
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.148
- at the temperature of:
- 22 °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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