Adenosine 5'-(trihydrogen diphosphate), monopotassium salt

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020-12-08 until 2021-01-27

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:

26 - 30 November 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: UN Manual of Tests and Criteria

Version / remarks:

7th edition

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1981

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

Batch No.: 37779100
Storage Conditions: Refrigerator (approx. 2 °C to 8 °C)

Test substance thermally stable:

yes

Key result

Operating temp.:

ca. 20 - <= 500 °C

Remarks on result:

other: The test item showed two exothermic effects starting at temperatures of 130 °C and 240 °C, respectively, with average energy releases of -460 J/g and -120 J/g

The test item in closed gold-plated stainless-steel crucibles showed two exothermic effects starting at temperatures of 130 °C and 240 °C, respectively, with average energy releases of -460 J/g and -120 J/g. The results of the DSC-measurements are summarized in the table below:

 

No.	Sample weight / mg	Onset / °C	Energy / J/g
PN20555	4.16	130 240	-450  (exothermic) -110  (exothermic)
PN20562	4.37	140 240	-460  (exothermic) -120  (exothermic)

Conclusions:

The test item Adenosine 5'-diphosphate monopotassium salt (dried) (CAS no. 70285-70-0) showed two exothermic effects starting at temperatures of 130 °C and 240 °C, respectively, with average energy releases of -460 J/g and -120 J/g.

Executive summary:

The test item Adenosine 5'-diphosphate monopotassium salt (dried) (CAS no. 70285-70-0) showed two exothermic effects starting at temperatures of 130 °C and 240 °C, respectively, with average energy releases of -460 J/g and -120 J/g.

Due to the fact that the decomposition energy of the exothermic effects is greater than -300 J/g and the onset of the first exothermix effect started below 200 °C, self-reactive properties cannot be excluded.

Since the overall decomposition energy of the exothermic effects goes above the threshold of -500 J/g, explosive properties also cannot be excluded.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2021

Report date:

2021

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

Adenosine 5'-(trihydrogen diphosphate), monopotassium salt

EC Number:

274-533-4

EC Name:

Adenosine 5'-(trihydrogen diphosphate), monopotassium salt

Cas Number:

70285-70-0

Molecular formula:

C10H14KN5O10P2

IUPAC Name:

potassium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

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:

Sum of impurities from ADP, K (each < 1 %)

IUPAC Name:

Sum of impurities from ADP, K (each < 1 %)

Test material form:

solid: particulate/powder

Details on test material:

Batch No.: 37779100
Storage Conditions: Refrigerator (approx. 2 °C to 8 °C)

Specific details on test material used for the study:

Batch No.: 37779100
Storage Conditions: Refrigerator (approx. 2 °C to 8 °C)

Results and discussion

Small-scale preliminary tests

Parameter:

other: Exothermic decomposition energy (J/g)

Value:

-580

Remarks on result:

other: Explosivity could not be excluded as the DSC measurement was above the threshold of -500 J/g.

Results of test series for explosives

Results of test series for explosives 1

Key result

Test series:

other: UN Test series 1 and 2

Method:

UN Test 1 (b): Koenen test

Parameter:

limiting diameter (mm)

Result:

negative, no explosion

Remarks on result:

other: Bottom and wall of tube bulged out

Results of test series for explosives 2

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

Result:

result is considered "-" (negative)

Remarks:

Pressure rise not reached

Remarks on result:

p < 2070 kPa

Any other information on results incl. tables

Explosive properties UN Class 1

The DSC measurements of study CSL-20-1469.01 in closed crucibles showed a decomposition of the test item with an average overall decomposition energy of 580 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.

 

Explosive Properties; Thermal Sensitivity: Koenen Test

One series of three tests with a 1.0 mm diameter orifice plate were performed.

Results of the Koenen Test with the 1 mm diameter orifice plate are presented in the table below:

No.	Sample weight / g	Diameter orifice plate / mm	Reaction time t /s	Main Reaction	Appearance of tube
1	19.50	1	80 - 130	Flame, discharge of solid matter	“B”: Bottom and wall of tube bulged out
2	19.50	1	80 - 135	Flame, discharge of solid matter	“B”: Bottom and wall of tube bulged out
3	19.50	1	79 - 130	Flame, discharge of solid matter	“B”: Bottom and wall of tube bulged out

 

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

 

Explosive Properties; Time-Pressure Test

The results of the three tests conducted for the Time-Pressure test are sumarised in the table below.

	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 2,070 kPa, the UN Transport Regulation Test 1 (c) (i) and 2 (c) (i) are deemed to be “-”.

 

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

According to the results of the tests on explosive properties (UN Transport Regulation, Test series 1 and 2), the test item does not have to be classified as explosive substance in class 1 according to the UN Transport Regulation nor as explosive substance according to GHS or CLP Regulation EC 1272/2008 Annex 1: 2.1.

Executive summary:

Thermal Stability (OECD 113)

The test item Adenosine 5'-diphosphate monopotassium salt (dried) (CAS no. 70285-70-0) showed two exothermic effects starting at temperatures of 130 °C and 240 °C, with average energy releases of -460 J/g and -120 J/g respectively (see study CSL-20-1469.01).

Since the total exothermic effect was above the threshold of -500 J/g, main explosovoty tests had to be performed.

Explosive Properties UN Class 1:

In the DSC measurement of study CSL-20-1469.01 the energy of the exothermic decomposition of the test item Adenosine 5'-diphosphate monopotassium salt (dried) (CAS no. 70285-70-0) was > -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 1 and 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 1272/2008: Annex 1: 2.1): The test item does not have to be classified as explosive substance according to GHS or CLP Regulation EC 1272/2008 Annex 1: 2.1, respectively.