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EC number: 681-644-5 | CAS number: 136369-04-5
- 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
- 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
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- 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
Test material
- Reference substance name:
- potassium 5-amino-1H-1,2,3,4-tetrazol-1-ide
- Cas Number:
- 136369-04-5
- Molecular formula:
- CH2KN5
- IUPAC Name:
- potassium 5-amino-1H-1,2,3,4-tetrazol-1-ide
- Test material form:
- solid: particulate/powder
- Details on test material:
- Batch no.: 08KI030
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.129
- Temp.:
- 22 °C
- pH:
- 6.89
Applicant's summary and conclusion
- Conclusions:
- Variations in the retention times of reference items and test item are very small. Therefore a stable configuration of the HPLC-column can be assumed. The correlation log K/log POW is good. The coefficient of determination r2 was calculated with 0.9797. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test item 5-Aminotetrazol Potassium. The test item gave a peak close to the dead time, which was expected taking into account the ionic nature of the substance. The reference item with the lowest log POW which is stated in the guideline (2-butanone, log POW 0.3) had a higher retention time. Therefore, log POW of 5-Aminotetrazol Potassium is stated as < 0.3. Correlation within the three injections was very good though. Therefore, no impact on the outcome of the determination is expected if the study were repeated using the shake-flask method. The shake-flask method covers the range of – 2 < log POW < 4, but as no valid analytical method for the determination in octanol is available, larger uncertainty in log POW value is expected if this method were used. The result of the study is considered valid.
- Executive summary:
The study was performed using a HPLC with a C18 column. Six reference items with different retention times were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated. The reference items were chosen on behalf of the retention time of the test item on the column. First, a solution of the reference items was analysed with HPLC, then a solution of the test item, and finally again the solution with the reference items. Each analysis was performed three times, totalling to nine runs.
For each reference item, the capacity factor K was calculated from the retention time of thio urea and the retention time of the respective reference item. A calibration function (log K versus log POW, linear fit) was determined using the literature values for POW of the reference items and the retention times in the six determinations. The chromatogram of the test item gave one peak. With the help of the calibration function log K versus log POW, the corresponding log POW was determined as:
Peak Mean retention time [min] Log POW +- sd 1 1.366 -0.129 +-0.022
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