Pregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-16,17-dihydroxy-, (11β, 16α)-

Flash point

Administrative data

Endpoint:

flash point of flammable liquids

Data waiving:

study technically not feasible

Justification for data waiving:

the study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

appearance / physical state / colour

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06 September 2017 - 01 March 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Reason / purpose for cross-reference:

reference to same study

Qualifier:

no guideline followed

Principles of method if other than guideline:

The appearance was determined by visual observation (direct and under a microscope). No guideline was followed for the appearance determination but sufficient details were given in the study report.

GLP compliance:

yes (incl. QA statement)

Remarks:

dd 13 januray 2016

Physical state at 20°C and 1013 hPa:

solid

Key result

Form:

solid: particulate/powder

Colour:

White

Odour:

other: not determined

Substance type:

organic

A test substance sample was observed to be a medium to fine white powder with clusters.

From observations using a 3.2 objective lens, the particles appeared to be irregular shaped crystals.

From observations using a 40 objective lens, the sample was observed to be made up of single crystalline particles.

Conclusions:

The substance is a white powder at room temperature.

Cross-reference 2

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018 - 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

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

Key result

Melting / freezing pt.:

>= 230.8 - <= 235.1 °C

Decomposition:

yes

Decomp. temp.:

ca. 230 °C

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

DSC EXPERIMENT 1

An endothermic peak was observed between 200°C and 250°C followed by another endothermic effect starting at 250°C (see the illustration below). The extrapolated onset temperature of the first peak was 235.137°C. The first endothermic effect was most likely caused by melting of the test item. The second endothermic effect was probably caused by reaction and/or decomposition of the test item.

After the experiment, a dark molten residue remained in the sample container (original colour: 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 was 230.844°C. After the experiment, a light yellow molten residue remained in the sample container. The change of the colour indicated reaction and/or decomposition of the test item.

 

DCS EXPERIMENT 3

The difference in the extrapolated onset temperature between Experiment 1 and 2 was >1°C. Therefore a third experiment was performed, applying the same heating rate as in experiments 1 and 2, and the same end temperature as in experiment 2.

The extrapolated onset temperature was 234.398°C. After the experiment, a light yellow molten residue remained in the container.

Experiment 3 thus confirmed melting of the test item, in combination with reaction and/or decomposition.

DATA HANDLING

The melting temperature is reported as a range because of the rather large variantion in values obtained in the three experiments. The variation is likely due to reaction and/or decomposition of the test item.

Conclusions:

The melting temperature of the substance was determined to be in the range of 230.8°C - 235.1°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 to be in the range of 230.8°C - 235.1°C.

In the DCS experiments, reaction and/or decomposition of the substance was observed during and after melting, starting at approximately 230°C.