Registration Dossier
Registration Dossier
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EC number: 617-901-5 | CAS number: 866607-35-4
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:
- 23 November 2016 - 17 March 2017
- 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°: I16CB1581
- Analytical purity: 98.61 %
- Expiration date: 2019-04-04 (retest date)
- Storage condition: at room temperature - Key result
- Melting / freezing pt.:
- 161.5 °C
- Atm. press.:
- 1 013.25 hPa
- Decomp. temp.:
- > 350 °C
- Remarks on result:
- other: A dark brown molten residue remained after the preliminary and main test, indicating reaction and/or decomposition.
- Conclusions:
- The melting temperature of JNJ-39453349-AAA (T003066) was determined to be 161.5°C (434.6K) by using DSC.
Reference
Preliminary test
From the TGA curve it could be derived that the weight of the sample decreased significantly at 375°C. At 405°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 test
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 150°C and 200°C. The extrapolated onset temperature of the peak was 161.396°C. The effect was most likely obtained due to melting. A second endothermic peak was observed starting at 350°C due to reaction and/or decomposition of the test item. After the experiment, a dark brown molten residue remained. To investigate the melting peak, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 161.586°C. The melting temperature of T003066 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 161.5°C (434.6K).
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 (K1, Reingruber, 2017). The melting point of T003066 was determined to be 161.5°C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 161.5 °C
Additional information
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