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Physical & Chemical properties

Flammability

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Endpoint:
self-heating substances / mixtures
Type of information:
experimental study
Adequacy of study:
key study
Study period:
8 December 2017 - 5 February 2018
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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
other: UN Recommendations on the TRANSPORT OF DANGEROUS GOODS: Manual of Tests and Criteria
Version / remarks:
Rev. 6 (2015)
Deviations:
no
Qualifier:
according to guideline
Guideline:
UN Manual of Tests and Criteria: Test N.4 (Test method for self-heating substances)
Deviations:
no
GLP compliance:
yes (incl. QA statement)

Test material

Constituent 1
Chemical structure
Reference substance name:
Adenosine 5'-(tetrahydrogen triphosphate), disodium salt
EC Number:
213-579-1
EC Name:
Adenosine 5'-(tetrahydrogen triphosphate), disodium salt
Cas Number:
987-65-5
Molecular formula:
C10H14N5O13P3.2Na
IUPAC Name:
disodium 9-{5-O-[hydroxy({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
impurity 1
Chemical structure
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:
Unknown impurities.
Molecular formula:
Not available as unknown impurities.
IUPAC Name:
Unknown impurities.
Test material form:
solid: crystalline
Details on test material:
Storage conditions: 2-8°C
Batch No: 11678500

Results and discussion

Self-heating substances / mixturesopen allclose all
Key result
Test procedure:
100 mm sample cube at 140°C
Result:
positive outcome (effect observed)
Key result
Test procedure:
25 mm sample cube at 140°C
Result:
negative outcome (no effect observed)
Key result
Test procedure:
100 mm sample cube at 120°C
Result:
negative outcome (no effect observed)

Any other information on results incl. tables

140 °C, 100 mm cube sample:

The temperature in the centre of the sample exceeded the oven temperature by over 70 K within approximately 11 hours test time before the temperature in the centre of the sample could reach the storage temperature of 140 °C. The test item expanded and swelled out during its decomposition resulting in large increase in volume of the decomposed test item. Since the temperature increase is above the threshold of 60 °C within 24 hours the result of the test is positive. 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 exceeded the oven temperature by approx. 3 K during the whole test after reaching the storage temperature of 140 °C. The test item changed its colour from white to yellow during the test. Since the temperature increase is below the threshold of 60 °C within 24 hours the result of the test is negative. 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 a storage time of 48 hours. The test item changed its colour from white to yellowish during the test. 

Since the temperature increase is below the threshold of 60 °C within 24 hours the result of the test is negative. Due to the negative result in the 100 mm cube sample at an oven temperature of 120 °C further tests do not have to be performed.

Applicant's summary and conclusion

Interpretation of results:
other: 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.
Remarks:
If the test item is handled in containers > 3 m³, it must be classified as a self-heating substance and assigned to category 2.
Conclusions:
The test in the 1 L wire basket at 140 °C showed a self-heating of the test item ATP, Di-Na (CAS no. 987-65-5) with a temperature increase of > 60 °C within 24 hours.
The test in the 15.625 mL wire basket at 140 °C showed a self-heating of the test item ATP, Di-Na (CAS no. 987-65-5) with a temperature increase of < 60 °C within 24 hours.
The test in the 1 L wire basket at 120 °C showed no self-heating of the test item ATP, Di-Na (CAS no. 987-65-5) within 24 hours. Due to this result further tests were not necessary.
According to the results of the tests on the self-heating in the Bowes-Cameron-Cage Test (UN-Test N.4) the test item ATP, Di-Na (CAS no. 987-65-5) 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 m³, it 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.
Executive summary:

The test in the 1 L wire basket at 140 °C showed a self-heating of the test item ATP, Di-Na (CAS no. 987-65-5) with a temperature increase of > 60 °C within 24 hours.

The test in the 15.625 mL wire basket at 140 °C showed a self-heating of the test item ATP, Di-Na (CAS no. 987-65-5) with a temperature increase of < 60 °C within 24 hours.  

The test in the 1 L wire basket at 120 °C showed no self-heating of the test item ATP, Di-Na (CAS no. 987-65-5) within 24 hours. Due to this result further tests were not necessary.

According to the results of the tests on the self-heating in the Bowes-Cameron-Cage Test (UN-Test N.4) the test item ATP, Di-Na (CAS no. 987-65-5) 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 m³, it 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.

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