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Diss Factsheets
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EC number: 243-077-8 | CAS number: 19455-20-0
- 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
- Study period:
- 02 Sept 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
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
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Potassium isobutyrate
- EC Number:
- 243-077-8
- EC Name:
- Potassium isobutyrate
- Cas Number:
- 19455-20-0
- Molecular formula:
- C4H8O2.K
- IUPAC Name:
- potassium 2-methylpropanoate
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: sponsor / 181101001
- Expiration date of the lot/batch: 31 Oct 2020
- Purity test date: 01 Nov 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room Temperature (20 ± 5 °C); Keep away from humidity, keep under inert gas
- Stability under test conditions: Stable
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.443
- Temp.:
- 25 °C
- pH:
- 5
Any other information on results incl. tables
Result and Validity
Result
As peak 1 showed a relative area about 100 %. it was considered as major peak.
Although area is not necessarily correlated to absolute concentration if a UV detector is used. it is assumed that the test item consists mainly of the peak 1. Using the correlation log k / log POW. the log POWof the major components of test itemPotassium isobutyratewas calculated as -0.443 ± 0.043 (mean ± standard deviation).
Validity
The validity criteria and results are presented in the following table:
Table. Validity Criteria and Results
Peak |
Parameter |
Criterion |
Found |
Assessment |
1 |
Range (Max – Min. log POW) |
< 0.1 |
0.086 |
valid |
Value within Range of Ref. Items |
1.833 – 7.154 |
1.566 |
not valid |
Discussion
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 r2was calculated with 0.9568. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test itemPotassium isobutyrate.
The test item peak lies before the reference item with the lowest log POW, 2- butanone. Therefore, the corresponding log POW should be stated as < 0.3. It is thus concluded that the test itemPotassium isobutyratehas a log POW of < 0.3. Using extrapolation, thelog POW of the test itemPotassium isobutyratelies about – 0.443 ± 0.043.
Although area is not necessarily correlated to the absolute concentration, if a UV detector is used, it is assumed that the test item consists mainly of one peak.
No observations were made which might cause doubts concerning the validity of the study outcome.
Applicant's summary and conclusion
- Conclusions:
- Using the correlation log k / log POW. the log POW of the major components of test item Potassium isobutyrate was calculated as -0.443 ± 0.043 (mean ± standard deviation).
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