4-hydroxy-2,5-dimethylfuran-2(3H)-one

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

key study

Study period:

experimental dates: 2016-10-04 to 2018-03-12

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to internationally recognised methods, and under GLP, with no deviation. The substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

other: OECD Test Guideline 113 (Screening Test for Thermal Stability and Stability in Air)

Version / remarks:

1981

Qualifier:

according to guideline

Guideline:

UN Manual of Tests and Criteria: Part I: Classification procedures, test methods and criteria relating to explosives of Class 1

Version / remarks:

Rev. 6 (2015)

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on 11 & 12 October 2016 / signed on 28 February 2017

Specific details on test material used for the study:

Storage condition of test material: Stored in unopened original sealed aluminium bag at room temperature (20 ± 5 °C) under nitrogen

Parameter:

other: DSC screening test

Value:

-950

Remarks on result:

other: J/g

Key result

Test series:

UN Test series 1

Method:

UN Test 1 (b): Koenen test

Parameter:

limiting diameter (mm)

Value:

1

Result:

result is considered "-" (negative)

Key result

Test series:

UN Test series 1

Method:

UN Test 1 (c) (i): Time/pressure test

Parameter:

other: pressure rise (kPa)

Value:

500

Result:

result is considered "-" (negative)

Key result

Test series:

other: UN Test series F

Method:

other: UN Test F.3 BAM Trauzl Test

Parameter:

other: expansion (mL/10g)

Value:

5.3

Result:

result is considered "-" (negative)

Thermal stability (DSC)

In the temperature range of 70 – 100 °C an endothermic effect (attributed to melting, in test conditions) can be observed.

An exothermic effect was detected in the temperature range of 220 – 400 °C with maximum decomposition energy of -950 J/g.

Sample weight / mg	Onset / °C	Energy / J/g
10.32	70 (endothermic) 220 (exothermic)	+160 -780
8.42	70 (endothermic) 220 (exothermic)	+150 -950

As the decomposition energy was above the threshold of -500 J/g and of -800 J/g, respectively, the main tests for explosive properties had to be performed.

Explosive Properties

Koenen-Test

Three tests with a 1.0 mm diameter orifice plate were performed.

No.	Sample weight / g	Diameter orifice plate / mm	Reaction time t1 / s	Reaction time t2 / s	Reaction	Appearance of tube
1	23.00	1.0	40	> 300	t1: Flame	Unchanged
2	23.00	1.0	40	> 300	t1: Flame	Unchanged
3	23.05	1.0	40	> 300	t1: Flame	Unchanged

t1: time to first reaction: flame
t2: time to main reaction: no reaction

Due to the fact that the test series with a1.0 mm diameter orifice plate showed no explosion, the UN-MTC Test 2(b) deemed to be “–“.

Time-Pressure Test

	Test 1	Test 2	Test 3
Time [s] at 690 kPa	Not reached	Not reached	Not reached
Time [s] at 2070 kPa	Not reached	Not reached	Not reached
Time for pressure rise [s]	-/-	-/-	-/-

 

Due to the fact that the test item did not reach a pressure of 2070 kPa, the UN-MTC Test 1(c) and 2(c) deemed to be “– “.

Trauzl Test

One test with a test item mass of 6.96 g was carried out. Th evolume of the enlarged cavity is 4 ml. The normalization to 10 g of the test item results in an expansion of 5.3 ml per 10 g. Therefore the UN-MTC Test F.3 results to be “No”. Based on this, the UN-MTC Test 1(a) and 2(a) are deemed to be “– “.

 

Based on all test results, the test item has NO explosive properties.

Interpretation of results:

GHS criteria not met

Conclusions:

The substance is NOT classified as an explosive, according to UN Transport Regulation and GHS or CLP criteria.

Executive summary:

First, the thermal stability of the substance was tested with Differential Scanning Calorimetry, in accordance with conditions recommended in UN MTC screening procedure/OECD 113 guideline.

Two DSC measurements in closed glass crucibles under nitrogen were performed up to a temperature of 500 °C.

An exothermic effect was detected in the temperature range of 220 – 400°C with maximum decomposition energy of -950 J/g.

As the result was above the threshold of -800 J/g, further tests for explosive properties had to be performed.

Then, UN test series 1 was conducted.

Koenen test (1b) was found negative, the tube was unchanged in three attempts with a 1.0 mm hole.

Time/pressure test (1c) was also negative, since the pressure rise did not reach the minimum target pressure of 690 kPa.

Trauzl test (F3) was negative, with a standardised expansion of 5.3 mL/10 g. Therefore, test 1a was not required.

Based on these results, the test substance is not accepted in class 1, i.e. not considered as an explosive.

Description of key information

DSC screening test: maximum decomposition energy = -950 J/g in the temperature range of 220 – 400 °C.

Koenen tube, time/pressure and Trauzl tests negative.

Key value for chemical safety assessment

Explosiveness:

non explosive

Additional information

A fully reliable experimental study, conducted in accordance with conditions recommended in UN MTC procedures/OECD guideline, and under GLP, is available. It is considered as a key study, and the result is used for key data.

Justification for classification or non-classification

Based on oxygen balance higher than the threshold of -200 (OB = -163), and internal testing (quality not assignable) from the notifier showing exothermal reaction upon heating, the endpoint could not be waived.

The DSC screening test was therefore performed according to UN requirements. The energy of the exothermic decomposition of the test item was found above the thresholds of -500 and 800 J/g, meaning that explosive properties cannot be excluded.

For classification purpose according to UN Transport Regulation, and GHS or CLP Regulation, UN test series 1 was conducted:

Koenen test (1b) was found negative, the tube was unchanged in three attempts with a 1.0 mm hole.

Time/pressure test (1c) was also negative, since the pressure rise did not reach the minimum target pressure of 690 kPa.

Trauzl test (F3) was negative, with a standardised expansion of 5.3 mL/10 g. Therefore, test 1a was not required.

Based on these results, the test substance is not accepted in class 1, i.e. not considered as an explosive.