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EC number: 632-556-0 | CAS number: 304859-44-7
- 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
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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:
- 17 October 2018 to 07 November 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: A.24. “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method.
- Version / remarks:
- Official Journal of the European Union L 54 of 01 March 2016.
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- 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:
- > 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: The main component of the test material is very strongly hydrophobic.
- Details on results:
- RESULTS OF THE PRELIMINARY TESTS
During the applied conditions, several peaks were detected from the test material in case of both aqueous and ACN samples. The sample in the organic solvent contained the same components as the saturated sample in water during the normal study period sufficient for chemicals of log Pow slightly above 6.5.
Because the two phases deviated from each other significantly visually, but the same components were detected, it is presumed, that only the water soluble (minor) components were detected from the organic solvent in the standard HPLC method. The main components appear not to have eluted from the column.
RESULT OF THE MAIN TEST
The three calibration series (reference solutions) and three test material series were measured using the standard conditions (Mobile Phase 1). The partition coefficient Pow was determined based on a calibration curve using six reference substances.
The capacity factors k were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values. The equation of the curve fitted to the calibration points is as follows:
log Pow = 2.518 × log k + 1.8675 (R² = 0.9358)
RESULT OF THE FURTER FEASIBILITY TEST
Considering the results of the Main test, only the minority water soluble fractions of the test material were detected, the main part of the test material (insoluble in water based on the visual assessment) was not determined during the Main test.
Therefore, additional conditions to the standard were applied in order to detect the presumed main component.
At three different specific wavelengths (200, 280 and 410 nm) the test material was applied using a gradient elution with 100% ACN content. The initial period was the same than in the main test; the same peaks were detected as previously. In further examinations, other peaks were detected at times about 10 times the duration for substances of log Pow of 6.5. The test material chromatograms were compared to the eluent using the three different wavelengths for detection. - Conclusions:
- Under the conditions of the study it is considered that the main (or major) component is very strongly hydrophobic. Water soluble minor fractions were detected in the HPLC system, with log Pow value between 1 and 2.2. The HPLC estimation method is suitable within the range of 0 and 6.5. It is concluded that the main test material substance has a log Pow of >> 6.5.
- Executive summary:
The partition coefficient of the test material was assessed in accordance with the standardised guidelines OECD 117 and EU Method A.24 under GLP conditions, using a high performance liquid chromatography method.
The highly coloured test material was not soluble in water and was not detectable in this HPLC method in the range up to log Pow 6.5. The test material was fully soluble in acetonitrile.
Water soluble minor fractions were detected in the HPLC system, several detectable components were found with log Pow values between 1 and 2.2.
Under the conditions of the study it is considered that the main (or major) component is very strongly hydrophobic. Water soluble minor fractions were detected in the HPLC system, with log Pow value between 1 and 2.2. The HPLC estimation method is suitable within the range of 0 and 6.5. It is concluded that the main test material substance has a log Pow of >> 6.5.
Reference
Description of key information
Under the conditions of the study it is considered that the main (or major) component is very strongly hydrophobic. Water soluble minor fractions were detected in the HPLC system, with log Pow value between 1 and 2.2. The HPLC estimation method is suitable within the range of 0 and 6.5. It is concluded that the main test material substance has a log Pow of >> 6.5.
Key value for chemical safety assessment
Additional information
The partition coefficient of the test material was assessed in accordance with the standardised guidelines OECD 117 and EU Method A.24 under GLP conditions, using a high performance liquid chromatography method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The highly coloured test material was not soluble in water and was not detectable in this HPLC method in the range up to log Pow 6.5. The test material was fully soluble in acetonitrile.
Water soluble minor fractions were detected in the HPLC system, several detectable components were found with log Pow values between 1 and 2.2.
Under the conditions of the study it is considered that the main (or major) component is very strongly hydrophobic. Water soluble minor fractions were detected in the HPLC system, with log Pow value between 1 and 2.2. The HPLC estimation method is suitable within the range of 0 and 6.5. It is concluded that the main test material substance has a log Pow of >> 6.5.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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