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EC number: 938-419-4 | CAS number: 3904-24-3
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 05 Dec 2017 - 14 Dec 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:
- 2016
- 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:
- (2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
- Cas Number:
- 93601-85-5
- Molecular formula:
- C14H21NO.HCl
- IUPAC Name:
- (2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
- Reference substance name:
- (2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride (1:1)
- 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-amine hydrochloride (1:1)
- 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
Constituent 2
Results and discussion
Melting / freezing point
- Key result
- Melting / freezing pt.:
- >= 262.6 - <= 265.3 °C
- Decomposition:
- yes
- 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 slightly, yet up to 550°C a significant decrease in sample weight was not observed.
After the experiment, a 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 was observed between 250°C and 275°C directly followed by exothermic effects starting at 275°C. The extrapolated onset temperature of the endothermic peak was 265.268°C. The endothermic effect was most likely caused by melting of the test item. The exothermic effects were ascribed to reaction and/or decomposition of the test item. After the experiment, a black 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 262.559°C. After the experiment, an off-white/yellowish molten residue remained in the sample container. The change of the colour indicated reaction and/or decomposition of the test item. It also demonstrated that melting was the reason for the endothermic effect.
DSC EXPERIMENT 3
Since the difference in extrapolated onsets between the first two experiments was > 1°C, Experiment 3 was performed using the same conditions as in Experiment 2. The extrapolated onset of the melting peak was 263.042°C. After the experiment, an off-white/yellowish molten residue remained in the sample container.
DATA HANDLING
Since reaction and/or decomposition was observed during melting of the test item, a relatively high difference between the extrapolated onsets was observed. Therefore a melting range was given instead of a melting temperature. The melting range was determined between the lowest and highest melting temperature of Experiment 1 (265.268°C), Experiment 2 (262.559°C) and Experiment 3 (263.042°C).
Applicant's summary and conclusion
- Conclusions:
- The melting range of the substance was determined to be 262.6-265.3°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.
A melting range instead of a well defined melting temperature was determined. The melting range of the substance was determined to be 262.6-265.3°C.
Reaction and/or decomposition of the substance started during melting.
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