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Administrative data

Endpoint:
vapour pressure
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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
2006
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
effusion method: vapour pressure balance

Test material

Constituent 1
Chemical structure
Reference substance name:
Reference substance 001
Cas Number:
67-47-0
Molecular formula:
C6H6O3
impurity 1
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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

Vapour pressureopen allclose all
Key result
Temp.:
20 °C
Vapour pressure:
0.08 Pa
Remarks on result:
other: Calculated by extrapolation
Key result
Temp.:
25 °C
Vapour pressure:
0.13 Pa
Remarks on result:
other: Calculated by extrapolation
Key result
Temp.:
50 °C
Vapour pressure:
1.53 Pa
Remarks on result:
other: Calculated by extrapolation

Any other information on results incl. tables

The vapour pressure was measured in the temperature range from 27 to 58 °C. The measured vapour pressure values together with the measured temperatures are listed in the table below:

 No.  Temperature (°C)  Vapour pressure (Pa)
 1  27  0.18
 2  32  0.27
 3  37  0.46
 4  42  0.70
 5  47  1.11
 6  53  2.04
 7  58  3.22

The measured vapour pressures in the temperature range of 47 to 58 °C are slightly outside the measuring range (10-3 to 1 Pa) of the vapour pressure balance. Nevertheless, as the vapour pressure values above 1 Pa could be detected properly by the vapour pressure balance, the values can be used for the evaluation.

From the measured data points of the vapour pressure curve the constants A and B of the Antoine equation can be derived by regression of the data points to 

A = 12.7988

B = -4076.15

C = 273.15.

Applicant's summary and conclusion

Conclusions:
The vapour pressure of the test item 5-(Hydroxymethyl)furfural was calculated for the temperatures 20, 25 and 50 °C by interpolation and extrapolation of the measured vapour pressure curve, according to Regulation EC No. 440/2008 Method A.4. Vapour Pressure and OECD Test Guideline 104 (2006). The vapour pressure was determined as follows:
0.08 Pa at 20°C, 0.13 Pa at 25°C, 1.53 Pa at 50°C.
Executive summary:

The vapour pressure of the test item 5-(Hydroxymethyl)furfural was calculated for the temperatures 20, 25 and 50 °C by interpolation and extrapolation of the measured vapour pressure curve, according to Regulation EC No. 440/2008 Method A.4. Vapour Pressure and OECD Test Guideline 104 (2006).

 Temperature (°C)  Vapour pressure (Pa)
 20  0.08
 25  0.13
 50  1.53