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EC number: 270-846-5 | CAS number: 68478-97-7
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- > 2 - < 3 160 000
- Temp.:
- 30 °C
- Remarks on result:
- other: Wide range is caused by the fact that test species consists of many individual components
- Type:
- log Pow
- Partition coefficient:
- > 0.3 - < 6.5
- Temp.:
- 30 °C
- Remarks on result:
- other: Wide range is caused by the fact that test species consists of many individual components
- Type:
- Pow
- Partition coefficient:
- > 2 - < 3 620
- Temp.:
- 30 °C
- Remarks on result:
- other: Within this range falls 95% of substance composition
- Details on results:
- The known components of the test item have several predicted dissociation constants for the amine functional groups (ranging from 9.6 to 9.7 ± 0.4) and several for the alcohol functional groups (ranging from 13.7 to 14.6 ± 0.9), using the I-Lab 2.0 prediction software from Advanced Chemistry Development Inc. (Algorithm version v5.0.0.184). Hence, it was necessary to adjust the mobile phase pH to a value of approximately 11.8 to maximize the non-ionized molecular form of the test item.
The buffer solution required to maintain the pH of the mobile phase at approximately 11.8 presented better solubility in acetonitrile than methanol. Therefore, acetonitrile was also the organic solvent used to prepare the sample and standard solutions.
The calibration curve for the reference standards showed good first order correlation and the chromatography of the test item showed several peaks with reproducible retention times. The HPLC method was therefore considered to be suitable for the purpose of the test. Based on the chromatographic data, the test item was considered to be stable during the test procedure.
From compositional information it was considered that the components within the test item had comparable molar absorptivities. The area of the individual peaks detected was then normalized to be able to establish a narrower partition coefficient range which comprises approximately 95% of the test item. - Conclusions:
- The partition coefficient of the Boron (2-propanamine) trifluoro-, rxn prod with butyl glycidyl ether has been determined to be in the range of less than 2.00 to greater than 3.16 x 106, log10 Pow less than 0.3 to greater than 6.5, since it comprises a variety of components. However, based on peak area normalisation, it can be approximated that 95% of the test item has a partition coefficient in the range of less than 2.00 to 3.62 x 103, log10 Pow less than 0.3 to 3.56. Since this is a multicomponent test item, it is not possible to give a single value as the result for the Pow. The best approach is to focus in the narrower range of less than 2.00 to 3.62 x 103(log10Pow less than 0.3 to 3.56), which comprises approximately 95% of the test item, based on peak area normalization. This range can then be broken up in the values obtained for the 3 major components: Approximately 45.5% of the test item has a log10Pow of <0.3, approximately 32.7% of the test item has a log10Pow of 0.463 and approximately 17.5% of the test item has a log10Pow of 3.56.
- Executive summary:
The partition coefficient of the Boron (2-propanamine) trifluoro-, rxn prod with butyl glycidyl ether has been determined to be in the range of less than 2.00 to greater than 3.16 x 106, log10 Pow less than 0.3 to greater than 6.5, since it comprises a variety of components. However, based on peak area normalisation, it can be approximated that 95% of the test item has a partition coefficient in the range of less than 2.00 to 3.62 x 103, log10 Pow less than 0.3 to 3.56.
Since this is a multicomponent test item, it is not possible to give a single value as the result for the Pow. The best approach is to focus in the narrower range of less than 2.00 to 3.62 x 103(log10Pow less than 0.3 to 3.56), which comprises approximately 95% of the test item, based on peak area normalization. This range can then be broken up in the values obtained for the 3 major components: Approximately 45.5% of the test item has a log10Pow of <0.3, approximately 32.7% of the test item has a log10Pow of 0.463 and approximately 17.5% of the test item has a log10Pow of 3.56.
Reference
Description of key information
The partition coefficient of the Boron (2-propanamine) trifluoro-, rxn prod with butyl glycidyl ether has been determined to be in the range of less than 2.00 to greater than 3.16 x 106, log10 Pow less than 0.3 to greater than 6.5, since it comprises a variety of components. However, based on peak area normalisation, it can be approximated that 95% of the test item has a partition coefficient in the range of less than 2.00 to 3.62 x 103, log10 Pow less than 0.3 to 3.56.
Key value for chemical safety assessment
- at the temperature of:
- 30 °C
Additional information
Since this is a multicomponent test item, it is not possible to give a single value as the result for the Pow. The best approach is to focus in the narrower range of less than 2.00 to 3.62 x 103(log10Pow less than 0.3 to 3.56), which comprises approximately 95% of the test item, based on peak area normalization. This range can then be broken up in the values obtained for the 3 major components: Approximately 45.5% of the test item has a log10Pow of <0.3, approximately 32.7% of the test item has a log10Pow of 0.463 and approximately 17.5% of the test item has a log10Pow of 3.56.
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