Registration Dossier
Registration Dossier
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EC number: 254-337-5 | CAS number: 39186-58-8
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 September - 25 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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
- Type of method:
- differential scanning calorimetry
- Specific details on test material used for the study:
- - Batch n°: I16AB0081
- Analytical purity: 99.3%
- Expiration date: 11 January 2018
- Storage condition: at room temperature - Key result
- Melting / freezing pt.:
- 68.8 °C
- Atm. press.:
- 1 013.25 hPa
- Decomposition:
- yes
- Remarks:
- A (dark) brown molten residue remained after the preliminary and the first main test (up to 344°C), indicating reaction and/or decomposition.
- Decomp. temp.:
- > 300 °C
- Conclusions:
- The melting temperature of JNJ-1597622-AAA (T000625) was determined at 68.8°C (341.9K) by using DSC.
Reference
Preliminary test
From the TGA curve it could be derived that the weight of the sample decreased significantly at 275°C. At 344°C the sample weight has decreased by 30%. After the experiment, a dark 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 showed an endothermic peak between 50°C and 100°C. The extrapolated onset temperature of the peak was 68.852°C. The effect was most likely obtained due to melting. A second endothermic peak was observed starting at 300°C due to reaction and/or decomposition of the test item. After the experiment, a brown molten residue remained. To investigate the melting peak between 50°C and 100°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 68.684°C. The melting temperature of T000625 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 68.8°C (341.9K).
Description of key information
In a GLP study according to OECD guideline 102, EU method A.1 and EPA OPPTS 830.7200 (Klimisch 1, Ciric, 2017) the melting point of T000625 was determined to be 68.8°C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 68.8 °C
Additional information
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