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EC number: 299-890-3 | CAS number: 93918-10-6
- 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
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- differential scanning calorimetry
Test material
- Reference substance name:
- Potassium 3,5,5-trimethylhexanoate
- EC Number:
- 299-890-3
- EC Name:
- Potassium 3,5,5-trimethylhexanoate
- Cas Number:
- 93918-10-6
- Molecular formula:
- C9H18O2.K
- IUPAC Name:
- potassium 3,5,5-trimethylhexanoate
- Test material form:
- solid: crystalline
- Details on test material:
- Name: Potassium 3,5,5-trimethylhexanoate
CAS No.: 93918-10-6
Batch No.: PURS151015
Purity: 99.4%
Physical State: solid
Colour: white
Molecular Weight: 196.33 g/mol
Storage Conditions: room temperature
Re-certification Date: 14 October 2016
Constituent 1
- Specific details on test material used for the study:
- Name: Potassium 3,5,5-trimethylhexanoate
CAS No.: 93918-10-6
Batch No.: PURS151015
Purity: 99.4%
Physical State: solid
Colour: white
Molecular Weight: 196.33 g/mol
Storage Conditions: room temperature
Re-certification Date: 14 October 2016
Results and discussion
Melting / freezing point
- Key result
- Melting / freezing pt.:
- > 285 °C
- Atm. press.:
- 1 003 mBar
- Decomposition:
- yes
- Decomp. temp.:
- > 285 °C
Any other information on results incl. tables
The test item consists of a white powder after freeze drying at ambient temperature.
To determine the melting behaviour (three independent single measurements), the test item was measured by DSC between -90 °C and 500 °C with a heating / cooling rate of 10 K/min in 4 cycles. For the measurement a capsulated crucible was used.
The test item Potassium 3,5,5-trimethylhexanoate shows no melting of a crystalline main component up to 285 °C according to the definition in the OECD Guideline 102 (mean value from repeat determinations; 1st to 3rd heating run).
285 °C (from first measurement)
283 °C (from second measurement)
286 °C (from third measurement)
Up to 285 °C the sample shows a weight loss in an open crucible of ca. 3.5 weight%. From 285 °C the test item shows most probably a thermal decomposition with melting (a melting >285 °C can’t be excluded, due to the information of the Kofler-heating bank; the decomposition products seem to start melting at temperatures >285 °C) and evaporation of the decomposition components. A vaporization of significant parts of the test item cannot be completely excluded.
The possible decomposition temperatures according to
A the melting results (285 °C)
B the boiling results (427 °C – see Final Report 15-18238 “Determination of the Boiling Point of the test item Potassium 3,5,5-trimethylhexanoate) differ due to different measuring conditions (melting – capsulated crucible (first decomposition with melting parts) / boiling – partially capsulated (decomposition with main weight loss).
In the temperature range between about 0 °C and 145 °C the test item shows two endothermic effects. These effects are possibly melting of sub components and / or solid–solid phase transformations. These effects are not the melting of the test item (main component) which was verified by subsequent tests with the Kofler-heating bank (no melting effect is visible in the temperature range from 0 °C to 145 °C). The cooling runs show no crystallization of the main component.
Applicant's summary and conclusion
- Conclusions:
- The test item Potassium 3,5,5-trimethylhexanoate shows no melting of the main component up to 285 °C according to the definition in the OECD Guideline 102. The cooling runs show no crystallization of the main component.
- Executive summary:
The test item Potassium 3,5,5-trimethylhexanoate shows no melting of the main component up to 285 °C according to the definition in the OECD Guideline 102. The cooling runs show no crystallization of the main component.
The possible decomposition temperatures according to
A the melting results (285 °C)
B the boiling results (427 °C – see Final Report 15-18238 “Determination of the Boiling Point of the test item Potassium 3,5,5-trimethylhexanoate) differ due to different measuring conditions (melting – capsulated crucible (first decomposition with melting parts) / boiling – partially capsulated (decomposition with main weight loss).
Up to 285 °C the sample shows a weight loss in an open crucible of ca. 3.5 weight%. From 285 °C the test item shows most probably a thermal decomposition with melting (a melting >285 °C can’t be excluded, due to the information of the Kofler-heating bank; the decomposition products seem to start melting at temperatures >285 °C) and evaporation of the decomposition components. A vaporization of significant parts of the test item cannot be completely excluded.
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