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EC number: 431-620-3 | CAS number: 162537-11-3
- 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

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:
- 5 November 1998 - 6 January 1999
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Directive 92/69/EEC
- Deviations:
- no
- Principles of method if other than guideline:
- Attempts to develop HPLC and spectrophotometric methods of sufficient accuracy for the organic phase analysis met with failure. Consequently, as the concentration in the organic phase could not be determined directly, it was calculated from the analysis of the aqueous phases and stock solution. This is considered satisfactory for the following reasons:
- The method of analysis for the aqueous phases was found to be consistently accurate (recoveries were in the range 96 to 100%).
- A significant amount of test material was found to partition into both phases. Error resulting from indirect analysis of the organic phases will therefore have had negligible effect on the end result.
- A calculated estimate of log Pow, obtained using an atom/fragment contribution technique, was 0.990; this compares favourably with the experimental value of 0.832. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 0.832
- Temp.:
- 21 °C
- pH:
- ca. 3.36
- Details on results:
- See below
- Conclusions:
- The partition coefficient of BMS 214702-01 has been determined to be 6.79 at 21.0 +/- 0.5 C, log10Pow = 0.832
Substances having a log10Pow of greater than 3 are regarded as having the potential to bioaccumulate in the environment. - Executive summary:
N-octanol to water partition coefficient for BMS 214702-01 was estimated using the shake-flask method. Method A8 of Commission Directive 92/69/EEC. The partition coefficient has been determined to be 6.79 at 21.0 +/- 0.5 C, log10Pow = 0.832.
Substances having a log10Pow of greater than 3 are regarded as having the potential to bioaccumulate in the environment.
Reference
The partition coefficient for each sample is shown in the table below:
Sample number | n-octanol/water volume ratio | Partition coefficient | Log10Pow | Mean partition coefficient |
1 | 2 : 1 | 6.59 | 0.819 | 6.54 |
2 | 6.49 | 0.813 | ||
3 | 1 : 1 | 6.47 | 0.811 | 6.62 |
4 | 6.78 | 0.831 | ||
5 | 1 : 2 | 7.21 | 0.858 | 7.21 |
6 | 7.21 | 0.858 |
Description of key information
N-octanol to water partition coefficient for BMS 214702-01 was estimated using the shake-flask method. Method A8 of Commission Directive 92/69/EEC. The partition coefficient has been determined to be 6.79 at 21.0 +/- 0.5 C, log10Pow = 0.832.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.832
- at the temperature of:
- 21 °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.
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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