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Diss Factsheets
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EC number: 201-506-6 | CAS number: 83-86-3
- 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
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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:
- 10. April 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Guideline study as required by REACH regulation 1907/2006
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- OECD Guidelines for the Testing of Chemicals, Method No. 117, adopted 13. April 2004: “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatog-raphy (HPLC) Method“
- Deviations:
- yes
- Remarks:
- The reference items were dissolved in methanol / water 65 / 35 (%, v/v) instead of methanol / 25 mM phosphate buffer pH 7 65 / 35 (%, v/v) like the test item.
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A. 24
- Version / remarks:
- Commission Regulation (EU) 2016/266 of adopted 7 December 2015 amending Regu-lation EC No. 440/2008, Method A.24 “Partition Coefficient (N-OCTANOL/WATER), HIGH PERFORMANCELIQUID CHROMATOGRAPHY (HPLC) METHOD
- Deviations:
- yes
- Remarks:
- The reference items were dissolved in methanol / water 65 / 35 (%, v/v) instead of methanol / 25 mM phosphate buffer pH 7 65 / 35 (%, v/v) like the test item.
- Principles of method if other than guideline:
- Corresponding SOP of LAUS GmbH : SOP 118 009 30 “Bestimmung des log POW (Verteilungskoeffizient n-Octanol/Wasser) mittels HPLC“, edition 7, adopted 18. Sep. 2017
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Batch No: 06386
- Expiration date of the lot/batch: June 2020
- Purity test date: July 2017 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- >= 5 - <= 6
- Details on results:
- The correlation log k / log POW was used for the calculation of the log POW of the components of the test item. Due to the fact that the calculated log PO/W of the test item peak was lower than the lowest log PO/W of the reference items (2-Butanone with log POW 0.3) the log POW of this peak is stated as < 0.3.
- Conclusions:
- The correlation log k / log POW was used for the calculation of the log POW of the components of the test item. Due to the fact that the calculated log PO/W of the test item peak was lower than the lowest log PO/W of the reference items (2-Butanone with log POW 0.3) the log POW of this peak is stated as < 0.3.
- Executive summary:
The study was performed to determine the log PO/Wof the test item using the HPLC method according to OECD 117 resp. EU A.24.
The study was performed using a HPLC with a C18 column. Six reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POWare correlated. The reference items were chosen based on the results of the pre-test.
One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/25 mM phosphate buffer pH 7 65/35 (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.
For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.A calibration function (log k versus log PO/W, linear fit) was determined using the literature values for PO/Wof the reference items and the retention times in the six determinations.
The test item showed one peak with a retention time 1.52 min with a very low standard deviation of 0.002 min. This peak lay not within the range of log PO/W’s of the reference items. The retention time of the test item peak was lower than the retention time of 2‑Butanone (1.857 min), the reference item with the lowest log POW, therefore a correct calculation is not possible. Therefore, the log PO/Wof the test item is stated as < 0.3.
Reference
Description of key information
Determination of the Log P O/W by using the HPLC method according to OECD 117 resp. EU A.24
Key value for chemical safety assessment
Additional information
The peak of the test item lays not within the range of log POW’s of the reference items. The retention time of the test item peak was lower than the retention time of 2‑Butanone (1.857 min), the reference item with the lowest log POW, therefore a correct calculation is not possible. Therefore, the log POWof the test item is stated as < 0.3.
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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