Tetrakis(pentane-2,4-dionato-O,O')zirconium

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Jan - March 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

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:

Tetrakis(pentane-2,4-dionato-O,O')zirconium

EC Number:

241-510-5

EC Name:

Tetrakis(pentane-2,4-dionato-O,O')zirconium

Cas Number:

17501-44-9

Molecular formula:

C20H28O8Zr

IUPAC Name:

2,4,8,8,10,10,13,15-octamethyl-1λ³,5λ³,7λ³,7λ³,11λ³,11λ³,12λ³,16λ³-octaoxa-6-zirconadispiro[5.5⁶.5⁶.5⁶]henicosa-1,4,7,7,10,10,12,15-octaene-6,6,6,6-tetrakis(ylium)-3,9,9,14-tetraide

Test material form:

solid: particulate/powder

Details on test material:

- Identification: Zirconium (IV) acetylacetonate (Zr-acac)
- Description: White to off-white powder
- Storage conditions: At room temperature

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

196.4 °C

Decomposition:

yes

Decomp. temp.:

ca. 200 °C

Remarks on result:

other: reaction and/or decomposition of the test item during and directly after melting

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 175°C and 200°C directly followed by another small endothermic and an exothermic effect (see the illustration below). The extrapolated onset temperature of the first effect was 196.567°C. The endothermic effect was most likely caused by melting of the test item. The second endothermic effect and the exothermic effect were probably caused by reaction and/or decomposition of the test item.

After the experiment, a dark brown molten residue remained in the sample container (original colour: white to 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 was 196.218°C. 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. It was therefore concluded that melting was the reason for the endothermic effect and that the test item had reacted and/or decomposed during and directly after melting.

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 196.4°C.