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Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 June 2017- 12 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:
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:
1-((2-chlorophenyl)-N-methylcarbonimidoyl)cyclopentan-1-ol
EC Number:
641-894-8
Cas Number:
6740-87-0
Molecular formula:
C13H16ClNO
IUPAC Name:
1-((2-chlorophenyl)-N-methylcarbonimidoyl)cyclopentan-1-ol
Test material form:
solid
Specific details on test material used for the study:
- Batch n°: I17BB0589
- Analytical purity: 99.8%
- Expiration date: 12 February 2018 (retest date)
- Storage condition: In refrigerator (2-8°C) under argon

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
62.4 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Decomp. temp.:
> 200 °C
Remarks on result:
other: A black molten residue remained after the preliminary and main test, indicating reaction and/or decomposition.

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 225°C. At 253°C the sample weight has decreased by 25%. After the experiment, a black 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 an endothermic peak between 50°C and 75°C. The extrapolated onset temperature of the peak was 62.208°C. The effect was most likely obtained due to melting. A second endothermic peak was observed starting at 200°C due to reaction and/or decomposition of the test item. After the experiment, a black molten residue remained. To investigate the melting peak between 50°C and 75°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 62.579°C. The melting temperature of T003641 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 62.4°C (335.5K).

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-54433041-AAA (T003641) was determined at 62.4°C (335.5K) using DSC.