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Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 October 2016 - 16 March 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
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

Constituent 1
Chemical structure
Reference substance name:
(dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
EC Number:
253-649-9
EC Name:
(dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
Cas Number:
37743-18-3
Molecular formula:
C18H20NO.Br
IUPAC Name:
(dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
- Batch n°: I16DB2126
- Expiration date: 27 April 2018
- Purity: 98.5% (based on base titration assay)
- Storage condition of test material: at room temperature

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
190.3 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Remarks:
A light brown molten residue remained after the preliminary test and an off-white molten residue remained after the main test, indicating reaction and/or decomposition.
Remarks on result:
other: Reaction and/or decomposition was observed during and after melting of the test item.

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 180°C. At 205°C the sample weight has decreased by 25%. After the experiment, a light brown molten residue remained in the sample container (original colour: white). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

In order to determine the melting more precisely, the DSC curve with a heating rate of 20°C/min was obtained and showed a small endothermic peak between 100°C and 125°C. Since a small weight loss in this temperature range was observed it was concluded to be due to the evaporation of the volatile components (i.e. solvents and impurities). Further, an endothermic peak was observed between 175°C and 200°C. The extrapolated onset temperature of the peak was 190.357°C. This effect was most likely obtained due to melting and decomposition. After the experiment, an off-white molten residue remained. To investigate the melting peak between 175°C and 200°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 190.281°C. The melting temperature of T000836 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 190.3°C (463.5K).

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-16250351-AAH (T000836) was determined at 190.3°C (436.5K) by using DSC.