Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Flammability

Administrative data

Endpoint:

self-heating substances / mixtures

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

other: UN Test N.4, Class 4, Division 4.2

Version / remarks:

2015

Test guideline 2

Qualifier:

according to guideline

Guideline:

other: VDI 2263, sheet 1, Grewer-Oven

Version / remarks:

1990

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

EC Number:

257-479-6

EC Name:

Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Cas Number:

51858-17-4

Molecular formula:

C25H16N4O12S2.2K

IUPAC Name:

dipotassium dihydrogen 4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate

Test material form:

solid: crystalline

Results and discussion

Self-heating substances / mixtures

Self-heating substances / mixtures 1

Key result

Test procedure:

other: Self-ignition in the Grewer-Oven

Remarks:

Experiment with pure test item and onset self-ignition temperature of about 120 °C

Max. temp. reached:

310

Induction time (h):

24

Result:

positive outcome (effect observed)

Self-heating substances / mixtures 2

Key result

Test procedure:

100 mm sample cube at 140°C

Induction time (h):

14

Result:

positive outcome (effect observed)

Self-heating substances / mixtures 3

Key result

Test procedure:

25 mm sample cube at 140°C

Induction time (h):

48

Result:

negative outcome (no effect observed)

Self-heating substances / mixtures 4

Key result

Test procedure:

100 mm sample cube at 120°C

Induction time (h):

36

Result:

negative outcome (no effect observed)

Any other information on results incl. tables

Self-ignition in the Grewer-Oven

In the investigation of self-ignition in the Grewer-Oven for the pure test item an endothermic effect could be detected in the temperature range of approx. 60 to 90 °C, followed by an exothermic self-ignition/self-heating starting at approx. 120 °C and leading to a maximum temperature of approx. 310 °C.

For the test item in mixture with Kieselguhr also an endothermic effect could be detected in the temperature range of approx. 50 to 60 °C, followed by an exothermic self-ignition/self-heating starting at approx. 160 °C and leading to a maximum temperature of approx. 325 °C. See summary table below:

Experiment	Onset self-ignition / °C	Maximum temperature / °C
Pure test item	Approx. 120	310
Test item in mixture with Kieselguhr (1:1)	Approx. 160	325

 

Bowes-Cameron-Cage Test (UN Test N.4)

140 °C, 100 mm cube sample

The temperature in the centre of the sample exceeded the oven temperature of about 240 K within approximately 14 hours. Due to the positive result in the 100 mm cube sample at an oven temperature of 140 °C further tests had to be performed.

140 °C, 25 mm cube sample

The temperature in the centre of the sample did not exceed the oven temperature within 48 hours. Due to the negative result in the 25 mm cube sample at an oven temperature of 140 °C further tests had to be performed.

120 °C, 100 mm cube sample

The temperature in the centre of the sample did not exceed the oven temperature within 36 hours. Due to the negative result in the 100 mm cube sample at an oven temperature of 120 °C no further tests had to be performed.

Final results/Classification

In the Grewer oven the test item showed a self-ignition temperature of 120 °C. The test in the 1 L wire basket at 140 °C showed a self-ignition of the test item with a temperature increase of > 60 °C within 24 hours.

The test in the 15.625 mL wire basket at 140 °C showed no self-ignition of the test item within 24 hours.

The test in the 1 L wire basket at 120 °C showed no self-ignition of the test item within 24 hours.

According to the results of the tests on the self-ignition in the Bowes-Cameron-Cage Tests (UN Test N.4) the test item is classified as follows:

UN Transport Regulation: The test item is not classified as self-heating substance in class 4, division 4.2 according to the UN Transport Regulation, if the test item is handled in containers with a volume of < 3 m³.

If the test item is handled in containers > 3 m³it is classified as self-heating substance in class 4, division 4.2 and assigned to packing group III.

GHS / CLP Regulation EC 1272/2008 Annex 1: 2.11: The test item is not classified as self-heating substance according to GHS/CLP Regulation EC 1272/2008 Annex 1: 2.11, respectively, if the test item is handled in containers with a volume of < 3 m³.

If the test item is handled in containers > 3 m³, it must be classified as a self-heating substance and assigned to category 2.