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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:
2018
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

Constituent 1
Chemical structure
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

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.