Adenosine 5'-(tetrahydrogen triphosphate), disodium salt

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07 December 2016 - 29 March 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

from 27 July 1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

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 hydrogen [({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]phosphonate

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:

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

Melting / freezing point

Key result

Atm. press.:

>= 1 016.1 - <= 1 016.3 hPa

Decomposition:

yes

Decomp. temp.:

ca. 135 °C

Remarks on result:

other: Melting of the test item was not observed below the temperature of decomposition and/or reaction, therefore the test item has no melting temperature.

Any other information on results incl. tables

In the temperature range of 50 -180°C, an endothermic effect was observed, which cannot be clearly assigned to the melting of the test item. The endothermic effect was directly followed by an exothermic effect in the temperature range of 180 -210°C , with a mean decomposition energy of -200 J/g. No further thermal effects were observed up to the test end temperature of 500°C.

Test no.	Sample weight (mg)	Onset of effect (°C)	Range of effect (°C)	Weight loss (mg)	Atmospheric pressure (hPa)
1	14.34	69.15	60 -180 (endo) 180 -210 (exo)	3.83	1016.1
2	12.88	48.23	50 -180 (endo) 180 -210 (exo)	3.48	1016.3

To verify the results of the DSC measurement, an additional measurement with the capillary method (Apparatus: Stuart Melting Point SMP 30) was performed in the temperature range of 40 -250°C with a heating rate of 10 K/min. The first endothermic effect in the temperature range of 50 -180°C in the DSC measurements cannot be assigned to the melting of the test item. The exothermic effect in the temperature range of 50 -180°C in the DSC meaurements can be confirmed as the decomposition of the test item. Due to this result, the test item has no melting point before its decomposition starting at a temperature of about 135°C.

Applicant's summary and conclusion

Conclusions:

The test item ATP, Di-Na (CAS 987-65-5) has no melting point up to its decomposition starting at a temperature of approx. 135 °C at atmospheric pressure (1016 hPa) as determined by differential scanning calorimetry and capillary method according to Regulation EC No. 440/2008 Method A.1. and OECD Test Guideline 102 (1995).

Executive summary:

The test item ATP, Di-Na (CAS 987-65-5) has no melting point up to its decomposition starting at a temperature of approx. 135 °C at atmospheric pressure (1016 hPa) as determined by differential scanning calorimetry and capillary method according to Regulation EC No. 440/2008 Method A.1. and OECD Test Guideline 102 (1995).