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EC number: 930-010-9 | CAS number: 461432-25-7
- 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
- Study period:
- The study was conducted between 18 June 2014 and 22 August 2014
- 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
- Type:
- log Pow
- Partition coefficient:
- 4.75
- Remarks on result:
- other: no PH or temperature as HPLC method
- Type:
- Pow
- Partition coefficient:
- 56 000
- Remarks on result:
- other: no PH or temperature as HPLC method
- Conclusions:
- The partition coefficient of the test item has been determined to be 5.60 x 10^4, log10 Pow 4.75.
- Executive summary:
The general physico-chemical properties of BMS-587172-01 have been determined. The results are summarized below:
Partition Coefficient.
5.60 x 104, log10 Pow 4.75, using the HPLC method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
The partition coefficient of the test item has been determined to be 5.60 x 10^4, log10 Pow 4.75.
Reference
Results
Preliminary estimate
The log10 Pow was calculated to be 4.66.
Definitive test
Calibration
The retention times of the dead time 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 | 1.837 | 1.832 | 1.834 |
Standard | Retention Time (mins) | Capacity Factor (k') | Log10 k' | Log10 Pow | ||
Injection 1 | Injection 2 | Mean | ||||
2-Butanone | 2.099 | 2.099 | 2.099 | 0.144 | -0.841 | 0.3 |
Benzene | 3.154 | 3.154 | 3.154 | 0.719 | -0.143 | 2.1 |
Naphthalene | 4.81 | 4.806 | 4.808 | 1.62 | 0.21 | 3.6 |
Phenanthrene | 8.605 | 8.596 | 8.601 | 3.69 | 0.567 | 4.5 |
Triphenylamine | 17.541 | 17.517 | 17.529 | 8.56 | 0.932 | 5.7 |
DDT | 24.325 | 24.3 | 24.312 | 12.3 | 1.09 | 6.5 |
Partition coefficient of test item
The retention times, capacity factor and log10 Pow value determined for the sample are shown in the following table:
Injection | Retention Time (mins) | Capacity Factor (k') | Log10 k' | Log10 Pow | Log10 Pow | Pow |
1 | 9.179 | 4 | 0.602 | 4.75 | 4.75 | 5.60 x 104 |
2 | 9.193 | 4.01 | 0.603 | 4.75 |
Discussion
The chromatography of the test item showed one sharp main peak with a well-defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study.
The repeatability shown between the replicate injections of the test item was within the ± 0.1 log units specified for the method.
Description of key information
The partition coefficient of the test item has been determined to be 5.60 x 10^4, log10 Pow 4.75.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.75
- at the temperature of:
- 30 °C
Additional information
The determination was carried out using the HPLC Method designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
The test system consisted of a high-performance liquid chromatograph with a suitable detector (UV/VIS). A reverse phase HPLC column with a very low percentage of polar groups was used (e.g. C8, C18). The mobile phase contained at least 25% aqueous phase.
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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