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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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