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EC number: 249-984-5 | CAS number: 29976-53-2
- 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:
- 04 September 2016 - 22 December 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7200 (Melting Point / Melting Range)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- differential scanning calorimetry
Test material
- Reference substance name:
- Ethyl 4-oxopiperidine-1-carboxylate
- EC Number:
- 249-984-5
- EC Name:
- Ethyl 4-oxopiperidine-1-carboxylate
- Cas Number:
- 29976-53-2
- Molecular formula:
- C8H13NO3
- IUPAC Name:
- ethyl 4-oxopiperidine-1-carboxylate
- Test material form:
- liquid
- Details on test material:
- - Name of test material (as cited in study reports): JNJ-126971-AAA (T000509)
- Physical state: liquid
- Appearance: clear colourless to light yellow liquid
Constituent 1
- Specific details on test material used for the study:
- - Batch n°: M15HB3826
- Expiration date: 13 January 2017
- Analytical purity: 98.5% (based on GC purity)
- Storage condition of test material: At room temperature
Results and discussion
Melting / freezing point
- Key result
- Melting / freezing pt.:
- 2.5 °C
- Atm. press.:
- ca. 1 022 hPa
Any other information on results incl. tables
Preliminary test
From the TGA curve it could be derived that the weight of the sample decreased significantly at 220°C. At 273°C the sample weight has decreased by 25%. After the experiment, a yellow spread out residue remained in the sample container (original colour: light yellow).
Main tests
In experiment 1, during cooling no effect was observed due to crystallisation of the test item. During heating a glass transition of the test substance was observed between -90°C and
-75°C. The inflection point of the peak could not be determined since it was observed within 2 minutes from the start of the heating.
An exothermic followed by an endothermic effect was observed between -50°C and 25°C. The effect was most likely due to recrystallization followed by melting. The extrapolated onset temperature of the melting peak was 2.459°C. From 150°C on, an endothermic effect was observed. The effect was most likely obtained due to boiling of the test item. After the experiment, a yellow spread out residue remained in the sample container.
To further investigate the inflection point, of the glass transition and investigate the endothermic peak a lower cooling rate of 1°C/minute and a higher end temperature were applied in Experiment 2. During cooling an exothermic peak was observed between -20°C and -60°C. The effect was most likely due to crystallization of the test item. During heating glass transition of the test item was observed between -90°C and -75°C. The inflection point of the peak was -78.822°C. A broad exothermic and a sharp endothermic signal were observed between -50°C and 25°C. The exothermic signal derived most probably from recrystallization, the endothermic signal from melting. The extrapolated onset temperature of the melting peak was 2.451°C.
Experiment 4 was performed with a similar temperature program as Experiment 2. Similar results as with Experiment 2 were obtained. The inflection point of the glass transition was -79.168°C. The extrapolated onset of the melting peak was 2.523°C and the onset of the boiling peak was 274.228°C. After the experiment, a yellow spread out residue remained in the sample container.
Experiments 3 and 5 were performed to investigate the boiling point and are explained in the next section.
The glass transition temperature was determined as the average glass transition temperature obtained from experiment 2 (-78.822°C) and experiment 4 (-79.168°C).
The melting temperature was determined as the average melting temperature obtained from experiment 1 (2.459°C), experiment 2 (2.451°C) and experiment 4 (2.523°C).
Applicant's summary and conclusion
- Conclusions:
- The melting temperature of JNJ-126971-AAA (T000509) was determined at 2.5°C (275.6K) by using DSC.
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