1,2-Ethandiylbis(oxy-2,1-ethandiyl)-dimethansulfonat

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07-29 April 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Reference

Endpoint:

thermal stability

Type of information:

experimental study

Adequacy of study:

key study

Study period:

04 March - 01 April 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1981

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: UN Manual of Test and Criteria

Version / remarks:

7th Edition, 2019

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

Batch No.: 01110008
Storage: Refrigerator (2 – 8 °C; max. 40 °C), container tightly closed.

Test substance thermally stable:

no

Key result

Operating temp.:

ca. 40 - <= 500 °C

Remarks on result:

other: Decomposition of the test item starts at approx. 100 °C at atmospheric pressure (1011 hPa)

The test item in closed gold-plated stainless-steel crucibles up to 500 °C showed four exothermic effects starting at temperatures of 100 °C, 160 °C, 310 °C and 370 °C, respectively, with average energy releases of -40 J/g, -920 J/g, -50 J/g and -120 J/g. 

The test item in a closed glass crucible up to 300 °C showed two exothermic effects starting at temperatures of 100 °C and 170 °C, respectively, with energy releases of -20 J/g and -920 J/g.
The results of the DSC-measurements are summarized in the table.

Measurement No.	Crucible material / Atmosphere	Sample weight / mg	Start of effect / °C	Energy / J/g
PN23097	Gold-plated stainless-steel / Air	3.22	100	-40 (exothermic)
			160	-890 (exothermic)
			310	-50 (exothermic)
			370	-130 (exothermic)
PN23098	Gold-plated stainless-steel / Air	3.36	100	-40 (exothermic)
			160	-940 (exothermic)
			310	-40 (exothermic)
			370	-110 (exothermic)
PN23187	Glass / Air	5.67	100	-20 (exothermic)
			170	-920 (exothermic)

 

 

Conclusions:

The test item Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) in closed goldplated stainless-steel crucibles up to 500 °C showed four exothermic effects starting at temperatures of 100 °C, 160 °C, 310 °C and 370 °C, respectively, with average energy releases of -40 J/g, -920 J/g, -50 J/g and -120 J/g. In a closed glass crucible up to 300 °C the test item showed two exothermic effects starting at temperatures of 100 °C and 170 °C, respectively, with energy releases of -20 J/g and -920 J/g.

Executive summary:

The test item Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) in closed goldplated stainless-steel crucibles up to 500 °C showed four exothermic effects starting at temperatures of 100 °C, 160 °C, 310 °C and 370 °C, respectively, with average energy releases of -40 J/g, -920 J/g, -50 J/g and -120 J/g. In a closed glass crucible up to 300 °C the test item showed two exothermic effects starting at temperatures of 100 °C and 170 °C, respectively, with energy releases of -20 J/g and -920 J/g.

Explosive Properties
Since the overall decomposition energy is above the threshold of -500 J/g, further tests on the explosive properties have to be performed.

Self-Reactive Properties
Due to the fact that the decomposition energy of the exothermic effects is above -300 J/g and the onset started below a temperature of 200 °C, further tests on the self-reactive properties have to be performed.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2022

Report date:

2022

Materials and methods

Test guideline

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:

Class 1 Test series 1 / 2, Test 1(b) / 2(b): Koenen Test
Class 1 Test series 1 / 2, Test 1(c) (i) / 2(c) (i): Time Pressure Test
Class 4, Division 4.1: Test series F, Test F.3: BAM Trauzl Test

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid

Cas Number:

80322-82-3

Molecular formula:

C8H18O8S2

IUPAC Name:

2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid

impurity 1

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

impurity 2

Reference substance name:

1,2-Ethandiylbis(oxy-2,1-ethandiyl)-monomethanesulfonat

IUPAC Name:

1,2-Ethandiylbis(oxy-2,1-ethandiyl)-monomethanesulfonat

Test material form:

liquid

Details on test material:

Appearance: Dark yellow liquid
Batch No.: 01110008
Storage: -5 – 40 °C, container tightly closed, protected from light

Specific details on test material used for the study:

Batch No.: 01110008
Storage Conditions: Refrigerator (2 – 8 °C; max. 40 °C), container tightly closed

Results and discussion

Small-scale preliminary tests

Parameter:

other: Exothermic decomposition energy (J/g)

Value:

-800

Remarks on result:

other: Explosivity could not be excluded as the DSC measurement was above the threshold of -500 J/g (see thermal stability study).

Results of test series for explosives

Results of test series for explosives 1

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 "+" (positive)

Remarks on result:

other: with an orifice plate diameter of 1.0 mm

Results of test series for explosives 2

Key result

Test series:

UN Test series 2

Method:

UN Test 1 (b): Koenen test

Parameter:

limiting diameter (mm)

Value:

2

Result:

negative, no explosion

Results of test series for explosives 3

Key result

Test series:

other: UN test series 1 and 2

Method:

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

Parameter:

other: time (s) for pressure rise from 690 kPa to 2,070 kPa

Value:

0

Result:

result is considered "-" (negative)

Remarks:

Pressure rise not reached

Remarks on result:

p < 2070 kPa

Results of test series for explosives 4

Key result

Test series:

other: UN Test series F

Method:

other: Test F.3 BAM Trauzl test

Parameter:

other: volume of the enlarge cavity, ml

Value:

3

Result:

result is considered "-" (negative)

Remarks on result:

other: expansion of 2.2 mL per 10 g.

Any other information on results incl. tables

Explosive properties UN Class 1

The DSC measurements of the thermal study (see thermal stability study) in closed crucibles showed a decomposition of the test item with a maximum overall decomposition energy above -800 J/g, meaning the decomposition energy goes beyond the threshold of -500 J/g to exclude explosive properties.

Due to the fact that the decomposition energy is above the threshold of -500 J/g the Koenen and the Time/Pressure Test had to be performed.

Due to the fact that the decomposition energy goes above the threshold of -800 J/g also the Trauzl Test had to be performed.

Thermal Sensitivity: Koenen Test

One test with a 1.0 mm diameter orifice plate and one series of three tests with a 2.0 mm diameter orifice plate were performed (table below).

No.	Sample weight / g	Diameter orifice plate / mm	Reaction time t /s	Main Reaction	Appearance of tube
1	36.80	1	28 – 65	flame/explosion	“F”: fragmented into mainly three large pieces
1	36.60	2	40 – 120	flame	“O”: unchanged
2	36.60	2	40 – 120	flame	“O”: unchanged
3	36.60	2	40 – 120	flame	“O”: unchanged

Due to the fact that the test series with an orifice plate diameter of 1.0 mm showed an explosion the UN-Transport Regulation Test 1 (b) is deemed to be “+”. Since the test series with an orifice plate diameter of 2.0 mm showed no explosion the UN-Transport Regulation Test 2 (b) is deemed to be “-”.

 

Time-Pressure Test

The following table summarizes the results of the three tests.

 

	Test 1	Test 2	Test 3
Time [s] at 690 kPa	Not reached	Not reached	Not reached
Time [s] at 2,070 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-Transport Regulation Test 1 (c) (i) and 2 (c) (i) deemed to be “-”.

 

Trauzl Test

One test with a test item mass of 13.6 g was carried out. The volume of the enlarged cavity is 3.0 mL. The normalization to 10 g of the test item results in an expansion of 2.2 mL per 10 g. Therefore, the UN Transport Regulation Test F.3 results in to be “No”. Based on this the UN Transport Regulation Test 1 (a) and 2 (a) is deemed to be “-”.

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Remarks:

GHS (CLP Regulation (EC) No. 1272/2008: Annex I: 2.1): The test item does not have to be classified as explosive substance according to GHS or CLP Regulation (EC) No. 1272/2008 Annex I: 2.1, respectively.

Conclusions:

In the tests on explosive properties according to UN Transport Regulation, Test Series 2, the test item showed no explosive properties.
According to the results of the tests on explosive properties, the test item Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) is classified as follows:
UN Transport Regulation: The test item does not have to be classified as explosive substance in class 1 according to the UN Transport Regulation.
GHS (CLP Regulation (EC) No. 1272/2008: Annex I: 2.1): The test item does not have to be classified as explosive substance according to GHS or CLP Regulation (EC) No. 1272/2008 Annex I: 2.1, respectively.

Executive summary:

In the DSC measurement (see thermal stabiliy study),  the energy of the exothermic decomposition of the test item Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) was above the threshold of -500 J/g. Therefore, further tests on explosive properties had to be performed.

In the tests on explosive properties according to UN Transport Regulation, Test Series 2, the test item showed no explosive properties.

According to the results of the tests on explosive properties, the test item is classified as follows:

UN Transport Regulation: The test item does not have to be classified as explosive substance in class 1 according to the UN Transport Regulation.

GHS (CLP Regulation (EC) No. 1272/2008: Annex I: 2.1): The test item does not have to be classified as explosive substance according to GHS or CLP Regulation (EC) No. 1272/2008 Annex I: 2.1, respectively.