N-cyclohexylcyclohexanamine 2-[1-[[[(1R)-1-[3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl]methyl]cyclopropyl]acetate

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13th January 2014 to 30th May 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

GLP compliance:

yes

Type of method:

thermal analysis

Remarks:

Differential Scanning Calorimetry

Melting / freezing pt.:

ca. 414 K

Atm. press.:

ca. 101.3 kPa

Decomposition:

yes

Decomp. temp.:

> 498 K

Sublimation:

no

Remarks on result:

other: Measured at atmospheric pressure

Conclusions:

The melting temperature of this substance was determined using DSC.

The melting temperature of the test substance was 140°C (414K).

Executive summary:

For the DSC-curve obtained with Experiment 1, an endothermic peak between 125°C and 175°C was observed. The extrapolated onset temperature of the peak was 140.46°C. The effect was most likely obtained due to melting of the test substance. A slight exothermic effect between 225°C and 300°C was observed. The effect was due to reaction and/or decomposition of the test substance. After the experiment, an orange molten residue remained in the sample container. The change in colour indicates that decomposition had occurred.

 

In order to investigate the melting peak between 125°C and 175°C a repeated heating cycle was applied in the Experiment 2. With the first heating the extrapolated onset temperature of the melting peak was 140.57°C.

 

With the second heating, a glass transition was observed between 50°C and 75°C. The inflection point temperature of the glass transition was 61.94°C. The glass transitions demonstrated that the endothermic effect (during the first heating) was due to melting of the test substance. An exothermic effect started from 275°C. The effect was due to reaction and/or decomposition of the test substance. After the experiment, an orange molten residue remained in the sample container.

 

During the preliminary test weight loss started from 150°C. Because melting was observed at 140°C, the test substance was visually inspected directly after melting during Experiment 3. The extrapolated onset temperature of the melting peak was 140.26°C. After the experiment, a colourless molten residue remained in the sample container. Based on this it was concluded that reaction and/or decomposition did not occur during melting.

 

The melting temperature was determined as the average melting temperature obtained from experiment 1 (140.46°C), experiment 2 (140.57°C) and experiment 3 (140.26°C).

Description of key information

The melting temperature of this substance was determined using DSC following OECD method 102 and in accordance with GLP.

The melting temperature of the test substance was 140°C (414K).

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

140 °C

Additional information

For the DSC-curve obtained with Experiment 1, an endothermic peak between 125°C and 175°C was observed. The extrapolated onset temperature of the peak was 140.46°C. The effect was most likely obtained due to melting of the test substance. A slight exothermic effect between 225°C and 300°C was observed. The effect was due to reaction and/or decomposition of the test substance. After the experiment, an orange molten residue remained in the sample container. The change in colour indicates that decomposition had occurred.