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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:
- 16 May 2008 and 02 September 2008
- 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
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: December 2002; Date of certificate: February 2003
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- > 3.16
- Temp.:
- 40 °C
- pH:
- ca. 7
- Details on results:
- Results:
Preliminary estimate:
Approximate solubility in n-octanol: 6.18 E2 g/l
Approximate solubility in water: <8.40 E-3g/l
Approximate Pow: >7.35 E4
Log10Pow: >4
Approximate solubility in n-octanol: >1.00 E3 g/l
Aproximate solubility in water: <1.50 E-3 g/l
Approximate Pow: >3.16 E6,
Log10 Pow: >6.50
results from definitive test:
Mean Log Pow: >6.50
Partition coefficient:>3.16 E6. - Conclusions:
- The partition coefficient of the test material has been determined to be > 3.16 E6, log Pow >6.50.
- Executive summary:
The partition coefficient of the substance GTL waxy raffinate ['Paraffin waxes (Fischer-Tropsch), full range, C15-50- branched and linear'] was determinated using the HPLC Method, Method A.8 of Commission Directive 92/69/EEC (which constitutes Annex V of council directive 67/548/EEC). Under the conditions of the test, the test material was determined to have a partition coefficient of > 3.16 x 106, and a log Pow >6.50.
The limit value of 6.5 is based on the retention time of the reference substance DDT.
Reference
Results:
Preliminary estimate:
Approximate solubility in n-octanol:
6.18 x 102 g/l
Approximate solubility in water: <8.40 x 10-3g/l
Approximate Pow: >7.35 x 104
Log10Pow: >4
Definitive test:
Calibration
The retention times of thiourea and the retention times, capacity factors (k) and log10Powvalues for the reference standards are shown in the following tables:
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
2.707 |
2.712 |
2.710 |
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k) |
Log10k |
Log10Pow |
|
Injection 1 |
Injection 2 |
|||||
Benzene |
4.419 |
4.418 |
4.419 |
0.631 |
-0.200 |
2.1 |
Toluene |
4.879 |
4.876 |
4.878 |
0.800 |
-9.68 x 10-2 |
2.7 |
Naphthalene |
4.690 |
4.689 |
4.690 |
0.731 |
-0.136 |
3.6 |
Phenanthrene |
4.930 |
4.928 |
4.929 |
0.819 |
-8.66 x 10-2 |
4.5 |
Triphenylamine |
6.189 |
6.189 |
6.189 |
1.28 |
0.109 |
5.7 |
DDT |
7.699 |
7.700 |
7.700 |
1.84 |
0.265 |
6.5 |
Discussion:
Substances having a log10Powgreater than 3 are regarded as having the potential to bioaccumulate in the environment.
The test material was known to primarily be a complex mixture of alkanes and therefore a majority of the components were not anticipated to absorb in the ultraviolet region. As no components were successfully eluted from the HPLC column using isocratic conditions maintaining a minimum of 25% water in the mobile phase as required by EEC Method A.8, it was necessary to introduce a gradient increase in the solvent content on the mobile phase to 100% tetrahydrofuran. This requirement eliminated the viability of refractive index detection as the detector baseline is adversely affected by the continuing shift in the refractive index of the mobile phase caused by the gradient. Therefore the sample was monitored in the UV region and the elution of the test material confirmed by fraction collection and subsequent GC analysis.
The retention time limit value used for the calculation of the sample partition coefficient result represents the start of the amended 100% tetrahydrofuran mobile phase. All components of the test material were demonstrated to elute after this time and shared a common partition coefficient value, that of greater than the highest calibration standard.
In the absence of any dissociating groups, the test material being a mixture of alkanes, no manipulation of the mobile phase pH was necessary to ensure the molecular form of each component. Therefore the determination was performed at approximately neutral pH.
Description of key information
- partition coefficient of the closely related substance GTL waxy raffinate [C15-50; CAS 848301-87-1, EC 482-130-1] covering the low molecular weight fraction of the registration substance up to C50 [determined using EU Method A.8, HPLC method]: greater than 3.16 x 106, log10 KOW >6.50 (arithmetic mean of two determinations at 40°C and pH 7);
- based on the general trend of decreasing water solubility with increasing carbon chain length/molecule size and the fact that the experimentally determined value for GTL waxy raffinate is based on the highest calibration standard [DDT, limit value of 6.5], it can be safely concluded that the result for the registration substance 'Paraffin waxes (Fischer-Tropsch), isomerization' containing higher molecular weight constituents (C25 - C150, about 30-55 % >C50) would be the same: 3.16 x 106, log10 KOW >6.50.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 40 °C
Additional information
Measured data are not available for the registration substance itself.
However, reliable data of the closely related substance GTL waxy raffinate (C15-50; CAS 848301-87-1, EC 482-130-1) can be used to address the endpoint, which is suitable to draw conclusions on the partition coefficient of the registration substance.
The test item GTL waxy raffinate - consisting of linear and branched alkanes (paraffins) in the carbon range from C15 to C50 - covers the entire low molecular weight fraction of the registration substance up to C50. Based on the general trend of decreasing water solubility with increasing carbon chain length/molecule size and the fact that the experimentally determined value for this substance is based on the highest calibration standard [DDT, limit value of 6.5], it can be safely concluded that the experimental result for the registration substance containing higher molecular weight constituents (C25 - C150, about 30-55 % >C50) would be the same: greater than 3.16 x 106, log10 Kow >6.50.
The conclusion is supported by the identical test result for the closely related substance GTL base oil (CAS 848301-69-9, EC 482-220-0), which consists of linear and branched alkanes (paraffins) with a small proportion of cycloalkanes in the carbon range from C18 to C50; see supporting study).
Predicted log Kow values, calculated using a validated QSAR method, are available for individual constituents of the substance GTL waxy raffinate (C15-50; CAS 848301-87-1, EC 482-130-1). Predictions are in the range log Kow 7.71 to >9.0. Based on the identical predicted results for individual constituents in the carbon range, C30-50, a log Kow of >9 can also be considered for the higher molecular weight constituents of the registration substance (>C50).
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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