PDI oligomers, isocyanurate (3x)

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 13 March 2017 to 14 March 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

2008

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:

1,3,5-tris(5-isocyanatopentyl)-1,3,5-triazinane-2,4,6-trione

Cas Number:

119934-71-3

Molecular formula:

C21 H30 N6 O6

IUPAC Name:

1,3,5-tris(5-isocyanatopentyl)-1,3,5-triazinane-2,4,6-trione

Constituent 2

Reference substance name:

2-methylpropyl N-(5-isocyanatopentyl)-N-(5-isocyanatopentylcarbamoyl)carbamate

Molecular formula:

C18 H30 N4 O5

IUPAC Name:

2-methylpropyl N-(5-isocyanatopentyl)-N-(5-isocyanatopentylcarbamoyl)carbamate

Test material form:

liquid: viscous

Details on test material:

Appearance: colourless or light yellow viscous liquid
Storage conditions: at room temperature, container tightly closed, flushed with nitrogen.

Results and discussion

Melting / freezing point

Key result

Decomposition:

yes

Decomp. temp.:

> 200 °C

Remarks on result:

other: Glass transition point: -68.1°C. No melting between -90°C and the glass transition point.

Any other information on results incl. tables

TGA EXPERIMENT (PRELIMINARY TEST)

From 275°C upwards the weight of the sample decreased significantly: 25% and 70% weight loss at 359°C and 456°C, resp. After the experiment, a dark brown residue remained in the sample container. The change of the colour indicated reaction and/or decomposition of the test item.

 

DSC EXPERIMENT 1

During cooling a phase transition was observed between -80°C and -60°C. During heating glass transition was observed between -75°C and -50°C with the inflection point at -68.395°C. An endothermic (reaction/decomposition) peak between 200°C and 359°C was observed. After the experiment, a yellow residue remained in the sample container.

 

DSC EXPERIMENT 2

The inflection point of the glass transition was determined to be -67.890°C. No change in appearance was observed after the experiment.

 

DATA HANDLING

The mean (n=2) inflection point was reported as the glass transition point of the substance: -68.1°C.

Applicant's summary and conclusion

Conclusions:

The glass transition point of the substance was determined to be -68.1°C. Melting of the substance was not observed between between -90°C and the glass transition point.

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 glass transition temperature of the substance was determined in duplicate obtaining a mean value of -68.1°C. Melting of the substance was not observed between between -90°C and the glass transition point. Reaction and/or decomposition of the substance started at temperatures above 200°C. Boiling of the substance was not observed below the temperature at which reaction and/or decomposition started.