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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15 June 2016 - 12 April 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Deviations:
no
GLP compliance:
yes
Type of method:
differential scanning calorimetry
Specific details on test material used for the study:
- Batch n°: A15JB2997
- Analytical purity: 97.5% (GC chromatographic purity)
- Expiration date: 2016-10-21
- Storage condition: at room temperature
Key result
Melting / freezing pt.:
5.6 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Decomp. temp.:
> 125 °C
Remarks on result:
other: A dark brown and brown yellow residue remained after the preliminary and main test respectively, indicating reaction and/or decomposition.

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly at 175°C. At 236°C the sample weight has decreased by 25%. After the experiment, a dark brown residue remained in the sample container (original colour: light yellow, light brown). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

The DSC-curve showed crystallization of the test item during cooling between -10°C and -30°C. During heating, an endothermic peak between -25°C and 25°C was observed. The extrapolated onset temperature of the peak was 5.554°C. The effect was most likely obtained due to melting. A small exothermic effect was observed starting at 125°C, most likely due to reaction and/or decomposition of the test item. After the experiment, a brown yellow residue remained.

To determine the duplicate melting temperature of the test item, a second experiment with a similar temperature program was applied. Similar results as the firs experiment were obtained. The extrapolated onset temperature of the peak was 5.645°C. After the experiment, a brown yellow residue remained in the sample container.

The melting temperature of T000749 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 5.6°C (278.7K).

Conclusions:
The melting temperature of JNJ-118872-AAA (T000749) was determined to be 5.6°C (278.7K) by using DSC.

Description of key information

A GLP study was performed according to OECD guideline 102, EU Method A.1 and EPA OPPTS 830.7200 without deviations (Reingruber, 2017). The melting point of T000749 was determined to be 5.6°C using DSC.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
5.6 °C

Additional information