Dihydronicotinamide-adenine dinucleotide, disodium salt

Flammability

Administrative data

Endpoint:

self-heating substances / mixtures

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 - 19 October 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

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

Test guideline 2

Qualifier:

according to guideline

Guideline:

other: VDI 2263 Sheet 1 Grewer Oven

Version / remarks:

1990

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

Dihydronicotinamide-adenine dinucleotide, disodium salt

EC Number:

210-123-3

EC Name:

Dihydronicotinamide-adenine dinucleotide, disodium salt

Cas Number:

606-68-8

Molecular formula:

C21H27N7O14P2.2Na

IUPAC Name:

disodium [(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate

impurity 1

Reference substance name:

Dihydronicotinamide-adenine dinucleotide

EC Number:

200-393-0

EC Name:

Dihydronicotinamide-adenine dinucleotide

Cas Number:

58-68-4

Molecular formula:

C21H29N7O14P2

IUPAC Name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

impurity 2

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

Test material form:

solid: crystalline

Remarks:

crystaline powder

Details on test material:

Batch No.: 18243100
Storage conditions: Store at -15 to -25°C,
Handling: Keep frozen on dry ice.

Results and discussion

Self-heating substances / mixtures

Self-heating substances / mixtures 1

Key result

Test procedure:

other: Grewer oven

Remarks:

pure test item

Max. temp. reached:

225

Result:

other: temperature increase was observed starting at 160°C

Remarks on result:

other: on the basis of the results, the test item cannot be classified. Further tests are needed.

Self-heating substances / mixtures 2

Key result

Test procedure:

other: Grewer oven

Remarks:

test item in mixture with Kieselguhr

Max. temp. reached:

200

Result:

other: temperature increase was observed starting at 170°C

Remarks on result:

other: on the basis of the results, the test item cannot be classified. Further tests are needed.

Any other information on results incl. tables

In the investigation of self-ignition in the Grewer Oven for the pure test item an exothermic process was detected starting at a temperature of approx. 160 °C that led to a maximum temperature of approx. 225 °C (corresponding oven temperature 180 °C). No further thermal effects could be observed up to the maximum test temperature of approx. 420 °C. After the measurement a swollen black residue remained in the wire basket.

For the test item in mixture with Kieselguhr a small exothermic process was detected starting at a temperature of approx. 170 °C that led to a maximum temperature of approx. 200 °C (corresponding oven temperature 185 °C). No further thermal effects could be observed up to the maximum test temperature of approx. 430 °C.

Applicant's summary and conclusion

Interpretation of results:

study cannot be used for classification

Conclusions:

The pure test item Beta-NADH, disodium salt (CAS no. 606-68-8) indicated a self-heating at atmospheric pressure starting at a temperature of 160 °C. This self-heating process led to a maximum temperature of approx. 225 °C (corresponding oven temperature 180 °C). On the basis of the results of the tests on the self-ignition in the Grewer Oven according to the UN Recommendations on the TRANSPORT OF DANGEROUS GOODS: Manual of Tests and Criteria, Appendix 6 Division 4.2, a classification of the test item as self-heating substance cannot be excluded. Further tests have to be performed for the classification.

Executive summary:

The pure test item Beta-NADH, disodium salt (CAS no. 606-68-8) indicated a self-heating at atmospheric pressure starting at a temperature of 160 °C. This self-heating process led to a maximum temperature of approx. 225 °C (corresponding oven temperature 180 °C). On the basis of the results of the tests on the self-ignition in the Grewer Oven according to the UN Recommendations on the TRANSPORT OF DANGEROUS GOODS: Manual of Tests and Criteria, Appendix 6 Division 4.2, a classification of the test item as self-heating substance cannot be excluded. Further tests have to be performed for the classification.