p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13-26 August 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

1996

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

EC No. 440/2008

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

impurity 1

Reference substance name:

Methanol

EC Number:

200-659-6

EC Name:

Methanol

Cas Number:

67-56-1

Molecular formula:

CH4O

IUPAC Name:

methanol

impurity 2

Reference substance name:

Acetone

EC Number:

200-662-2

EC Name:

Acetone

Cas Number:

67-64-1

Molecular formula:

C3H6O

IUPAC Name:

acetone

impurity 3

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

Constituent 1

Reference substance name:

p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)

EC Number:

269-198-6

EC Name:

p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)

Cas Number:

68189-42-4

Molecular formula:

C6H6NO6P.2C4H11NO3

IUPAC Name:

4-nitrophenyl dihydrogen phosphate - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)

Test material form:

solid

Details on test material:

Batch / Lot No. 46587100

Specific details on test material used for the study:

Batch No.: 46587100
Storage: Refrigerator (approx. 2-8°C)

Results and discussion

Boiling point

Key result

Atm. press.:

>= 1 002 - <= 1 004 hPa

Decomposition:

yes

Decomp. temp.:

ca. 210 °C

Remarks on result:

other: No boiling point up to its decomposition starting at a temperature of approx. 210°C

Any other information on results incl. tables

During the heating phase a distinct endothermic effect was observed in the temperature range of 150-180°C, which can be assigned to the melting of the test item. The endothermic effect was directly followed by a small exothermic effect starting at a temperature of approx. 180°C with an average energy release of -20 J/g.

As the onset temperatures in both tests deviate by more than 0.5 K from their mean value of 162.51 °C, the test item has a melting range of 162-163°C.

A second exothermic effect was observed starting at a temperature of approx. 220°C with an average energy release of -290 J/g.

Due to the fact that the test item shows no second endothermic effect before its decomposition, the test item has no boiling point up to its decomposition starting at a temperature of approx. 210°C

Measurement No.	Sample weight / mg	Onset of Effect / °C	Range of effect / °C	Weight loss / mg	Atmospheric pressure / hPa
PN20063	7.72	163.23 --- ---	150 – 180 (endo) 180 – 190 (exo) 220 – 340 (exo)	3.86	1001.8
PN20065	9.53	161.78 --- ---	150 – 180 (endo) 180 – 190 (exo) 220 – 330 (exo)	4.57	1003.6

Optical verification using the capillary method

To verify the results of the DSC measurement, an additional measurement in a melting capillary was performed in the temperature range of 27°C to 225°C with a heating rate of 10 K/min. The test item started to melt at a temperature of approx. 140°C. At a temperature of 165°C the test item was completely molten (dark yellow liquid). At a temperature of 210°C the colour of the test item changed to orange. At a temperature of 225 °C the test item turned brown and rose inside the capillary. The test was terminated at a maximum temperature of 225 °C.

According to the observations during the test in the capillary method, the endothermic effect in the DSC measurements with open crucibles can be assigned to the melting of the test item. The second exothermic effect starting at a temperature of approx. 220°C can be clearly assigned to the decomposition of the test item. Due to this result, it can also be stated that the test item has no boiling point up to its decomposition starting at a temperature of approx. 210°C.

Applicant's summary and conclusion

Conclusions:

The test item 4-NPP, di-TRIS (CAS no. 68189-42-4) has no boiling point up to its decomposition starting at a temperature of approx. 210°C at atmospheric pressure (1002-1004 hPa) as determined by Differential Scanning Calorimetry and capillary method according to Regulation (EC) No. 440/2008 Method A.2. and OECD Test Guideline 103 (1995).

Executive summary:

The test item 4-NPP, di-TRIS (CAS no. 68189-42-4) has no boiling point up to its decomposition starting at a temperature of approx. 210°C at atmospheric pressure (1002-1004 hPa) as determined by Differential Scanning Calorimetry and capillary method according to Regulation (EC) No. 440/2008 Method A.2. and OECD Test Guideline 103 (1995).