[(8R,9S,10R,13S,14S,17R)-3-ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 January 2018 - 31 October 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

[(8R,9S,10R,13S,14S,17R)-3-ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

EC Number:

610-565-0

Cas Number:

50717-99-2

Molecular formula:

C24H32O3

IUPAC Name:

[(8R,9S,10R,13S,14S,17R)-3-ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Test material form:

solid: particulate/powder

Details on test material:

Physical appearance: off-white powder
Storage conditions: at room temperature

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

181.2 °C

Decomposition:

yes

Decomp. temp.:

> 250 °C

Any other information on results incl. tables

Two experiments were performed to investigate the melting and boiling behaviour of the substance.

DSC EXPERIMENT 1

An endothermic peak was observed between 150°C and 200°C followed by an exothermic effect between 250°C at 347°C (see the illustration below). The extrapolated onset temperature of the first peak was181.696°C. The endothermic effect was most likely caused by melting of the test item. An exothermic effect was observed between between 250°C and 347°C and probably caused by reaction and/or decomposition of the test item.

After the experiment, a yellow/brown molten residue remained in the sample container (original colour: off-white). The change of the colour indicated reaction and/or decomposition of the test item. 

 

DSC EXPERIMENT 2

In order to investigate the melting peak, in Experiment 2 heating was stopped directly after the melting effect.  The extrapolated onset temperature was180.738°C. After the experiment, a colourless molten residue remained in the sample container. It demonstrated that melting was the reason for the endothermic effect.

 

DATA HANDLING

The melting temperature was determined as the mean melting temperature of Experiment 1 and Experiment 2.

Applicant's summary and conclusion

Conclusions:

The melting temperature of the substance was determined to be 181.2°C.

Executive summary:

Differential Scanning Calorimetry (DSC) experiments were performed in a GLP study according to EC A.1, OECD 102 and OPPTS 830.7200.

The melting temperature of the substance was determined in duplicate obtaining a mean value of 181.2°C.

Reaction and/or decomposition of the substance was observed at temperatures > 250°C.