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EC number: 695-797-0 | CAS number: 93601-86-6
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11 September 2017 - 20 October 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7200 (Melting Point / Melting Range)
- Version / remarks:
- 1998
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- differential scanning calorimetry
Test material
- Reference substance name:
- (2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium chloride
- EC Number:
- 695-797-0
- Cas Number:
- 93601-86-6
- Molecular formula:
- C14H21NO.HCl
- IUPAC Name:
- (2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium chloride
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Appearance: White to off-white powder
- Storage condition of test material: At room temperature
Constituent 1
Results and discussion
Melting / freezing point
- Key result
- Melting / freezing pt.:
- 275.9 °C
- Remarks on result:
- other: Decomposition started during melting.
Any other information on results incl. tables
TGA EXPERIMENT (PRELIMINARY TEST)
Starting at 275°C, the weight of the sample decreased significantly. At 309°C, the sample weight had decreased by 25%.
After the experiment, a brown/black molten residue remained in the sample container. The change of the colour indicated reaction and/or decomposition of the test item.
DSC EXPERIMENT 1
An endothermic peak directly followed by an exothermic effect was observed between 250°C and 309°C. The extrapolated onset temperature of the endothermic peak was 275.948°C. The endothermic effect was most likely caused by melting of the test item. The exothermic effect was ascribed to reaction and/or decomposition of the test item. After the experiment, a yellow/green molten residue remained in the sample container. The change of the colour indicated reaction and/or decomposition of the test item. Based on this visual observation, it was concluded that the test item had molten and that the change of the colour demonstrated reaction and/or decomposition of the test item.
DSC EXPERIMENT 2
In order to investigate the melting peak, in Experiment 2 heating was stopped directly after the melting peak. The extrapolated onset temperature was 275.897°C. After the experiment, a white molten residue remained in the sample container. It demonstrated that melting and most likely reaction and/or decomposition were the reasons for the endothermic effect.
DSC EXPERIMENT 3
In order to investigate reaction and/or decomposition during melting, a lower heating rate of 5°C/minute was used in the Experiment 3. The extrapolated onset temperature was 274.566°C. Based on the shape of the observed effects it was concluded that reaction and/or decomposition occurred during and after melting of the test item. Since a lower heating rate was applied, the extrapolated onset temperature was not used for calculation of the melting temperature. After the experiment, a yellow/green molten residue remained in the sample container.
DATA HANDLING
The melting temperature was determined as the mean extrapolated onset temperature of Experiment 1 and Experiment 2.
Applicant's summary and conclusion
- Conclusions:
- The melting temperature of the substance was determined to be 275.9°C.
- Executive summary:
Differential Scanning Calorimetry (DSC) experiments were performed in a GLP study according to EC A.1, OECD 102 and OPPTS 830.7200.
The melting temperature of the substance was determined in duplicate obtaining a mean value of 275.9°C.
Reaction and/or decomposition of the substance started during melting.
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