5-(hydroxymethyl)-2-furaldehyde

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 May 2019 - 29 May 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

2008

Deviations:

no

Test guideline 2

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

Constituent 1

Reference substance name:

Reference substance 001

Cas Number:

67-47-0

Molecular formula:

C6H6O3

impurity 1

Reference substance name:

Fructose

EC Number:

200-333-3

EC Name:

Fructose

Cas Number:

57-48-7

Molecular formula:

C6H12O6

IUPAC Name:

D-fructose

impurity 2

Reference substance name:

1-(furan-2-yl)-2-hydroxyethanone

Cas Number:

17678-19-2

Molecular formula:

C6H6O3

IUPAC Name:

1-(furan-2-yl)-2-hydroxyethanone

impurity 3

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

water

impurity 4

Reference substance name:

Sodium formate

EC Number:

205-488-0

EC Name:

Sodium formate

Cas Number:

141-53-7

Molecular formula:

CH2O2.Na

IUPAC Name:

sodium formate

impurity 5

Reference substance name:

Sodium nitrate

EC Number:

231-554-3

EC Name:

Sodium nitrate

Cas Number:

7631-99-4

Molecular formula:

HNO3.Na

IUPAC Name:

sodium nitrate

impurity 6

Reference substance name:

Glucose

EC Number:

200-075-1

EC Name:

Glucose

Cas Number:

50-99-7

Molecular formula:

C6H12O6

IUPAC Name:

D-glucose

impurity 7

Reference substance name:

Sodium acetate

EC Number:

204-823-8

EC Name:

Sodium acetate

Cas Number:

127-09-3

Molecular formula:

C2H4O2.Na

IUPAC Name:

sodium acetate

impurity 8

Reference substance name:

2-furaldehyde

EC Number:

202-627-7

EC Name:

2-furaldehyde

Cas Number:

98-01-1

Molecular formula:

C5H4O2

IUPAC Name:

2-furaldehyde

impurity 9

Reference substance name:

Sodium 4-oxovalerate

EC Number:

243-378-4

EC Name:

Sodium 4-oxovalerate

Cas Number:

19856-23-6

Molecular formula:

C5H8O3.Na

IUPAC Name:

sodium 4-oxopentanoate

impurity 10

Reference substance name:

Formaldehyde

EC Number:

200-001-8

EC Name:

Formaldehyde

Cas Number:

50-00-0

Molecular formula:

CH2O

IUPAC Name:

formaldehyde

Test material form:

solid: crystalline

Details on test material:

freeze-dried material
Batch: 1808A-RO-C-I1-FD-Chg#3
Appearance Crystal / brown
Storage: Refrigerator (2 - 8 °C)
Expiring date: 31 December 2019

Specific details on test material used for the study:

Storage Conditions: Dry, dark and cooled (2 °C to 8 °C)
Expiry Date: 2019-12-31

Results and discussion

Boiling point

Key result

Boiling pt.:

ca. 110 °C

Atm. press.:

>= 992 - <= 1 013 hPa

Any other information on results incl. tables

Boiling Point 

During the cooling phase no thermal effects could be observed down to a temperature of -90 °C. In the subsequent heating phase an endothermic effect was observed in the temperature range of -70 °C to -40 °C. Since the test item does not seem to be completely solid, more like a sticky mass, at the storage temperature between2 °C to 8 °C, the measured endothermic effect may be assigned to the start of the liquification process, which spans over a large temperature range up to room temperature. Starting at a temperature of approx. 120 °C a broad exothermic effect up to the maximum test temperature of 500 °C was observed. Due to the fact that no second endothermic effect was detected up to the decomposition of the test item starting at a temperature of 110 °C (please see thermal stability), it can be stated that the test item has no boiling point up to its decomposition.The results of the DSC-measurements are summarized in the following table:

Results of the DSC-measurements

No.	Sample weight / mg	Onset of Effect / °C	Range of effect / °C	Weight loss / mg	Atmospheric pressure / hPa
PN17787	13.18	-62.65 ---	-70 to -40 (endo) 120 to 500 (exo)	8.32	1013.0
PN17808	10.78	-64.09 ---	-70 to -40 (endo) 120 to 500 (exo)	6.92	992.2
PN17822	11.85	---	120 to 500 (exo)	7.60	1006.4

Optical verification using capillary method

To verify the results of the DSC measurement, an additional measurement in a boiling capillary was performed in the temperature range of 30 °C to 200 °C with a heating rate of 10 K/min. The test item immediately started to liquify at room temperature. At the starting temperature of 30 °C the test item is a dark orange/brown liquid. Starting at a temperature of 142 °C a formation of bubbles can be observed, which increased its frequency at higher temperature. The test was terminated at a maximum temperature of 200 °C. Due to the initial dark colour of the test item, it cannot be clearly stated if the test changed its colour to a darker brown during the measurement. According to the observationsduring the test in the capillary method, the exothermic effect in the DSC measurements with open crucibles can be assigned to the decomposition of the test item accompanied by the formation of gaseous decomposition products. Due to this result,it can be stated that the test item has no boiling point up to its decomposition starting at a temperature of 110 °C.

Applicant's summary and conclusion

Conclusions:

The test item 5-(Hydroxymethyl)furfura has no boiling point at atmospheric pressure (992 – 1013 hPa) up to its decomposition at approx. 110 °C 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 5-(Hydroxymethyl)furfural has no boiling point at atmospheric pressure (992 – 1013 hPa) up to its decomposition at approx. 110 °C 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).