(S)-2-(5-Oxo-3-propyl-1,2-dihydropyrrol-1-yl) butyramide

Boiling point

Administrative data

Endpoint:

boiling point

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the substance is a solid which decomposes before boiling

Cross-reference

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:

07 Jan 2019 - 14 Feb 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.:

>= 76.1 - <= 84.1 °C

TGA EXPERIMENT (PRELIMINARY TEST)

Decrease of weight from 300°C upwards: 25% at 317°C.

After the experiment, a brown molten residue remained in the sample container.

The change of the colour indicated reaction and/or decomposition of the test item.

DSC EXPERIMENT 1

Two endothermic effects were observed between 50°C and 100°C followed by an endothermic effect starting at ca. 250°C.

The temperature at maximum of the first effect was 76.411°C and the temperature at maximum of the second effect was 84.509°C.

The endothermic effects were most likely caused by melting of the test item. The third endothermic effect was probably caused by reaction and/or decomposition of the test item.

After the experiment, a yellow molten residue remained in the sample container.

The change of the colour indicated reaction and/or decomposition of the test item.

DSC EXPERIMENT 2

In order to investigate the endothermic effects, in Experiment 2 heating was stopped directly after the melting effects.

The temperature at maximum of the first effect was 75.688°C and the temperature at maximum of the second effect was 83.598°C.

After the experiment, a molten residue that lost its colour remained in the sample container. It demonstrated that melting was the reason for the endothermic effect.

DATA HANDLING

As the melting temperature of the test item could not be determined accurately due to the two effects observed, the melting temperature is reported as a melting range from 76.1°C to

84.1°C, reflecting the mean temperature at maximum of the first effect and the mean temperature at maximum of the second effect.

Conclusions:

The melting range of the substance was determined to be 76.1°C – 84.1°C. Reaction and/or decomposition of the test item was observed starting at approximately 250°C.

Executive summary:

Differential Scanning Calorimetry was performed to determine the melting and boiling temperature. The experiments were based on EC A.1, OECD 102 and OPPTS 830.7200 (melting temperature) and on EC A.2, OECD TG 103 and OPPTS 830.722 (boiling temperature). GLP-study.

The melting range of the substance was determined to be 76.1°C – 84.1°C.

Boiling of the substance was not observed below the temperature at which reaction and/or decomposition started (i.e. at 250°C).