Pyrolytic sugar

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20-10-2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2021

Report date:

2021

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: Knudsen cell

Test material

Test material information

Constituent 1

Reference substance name:

1,6-anhydro-β-D-glucose

EC Number:

207-855-0

EC Name:

1,6-anhydro-β-D-glucose

Cas Number:

498-07-7

Molecular formula:

C6H10O5

IUPAC Name:

(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

Constituent 2

Reference substance name:

Glycollaldehyde

EC Number:

205-484-9

EC Name:

Glycollaldehyde

Cas Number:

141-46-8

Molecular formula:

C2H4O2

IUPAC Name:

2-hydroxyacetaldehyde

Constituent 3

Reference substance name:

Organic acids

IUPAC Name:

Organic acids

Constituent 4

Reference substance name:

Ketones

IUPAC Name:

Ketones

Constituent 5

Reference substance name:

Phenols

IUPAC Name:

Phenols

Constituent 6

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

water

Constituent 7

Reference substance name:

Oligomers of sugars and anhydrosugars

IUPAC Name:

Oligomers of sugars and anhydrosugars

Test material form:

liquid: viscous

Results and discussion

Vapour pressure

Vapour pressure 1

Temp.:

45 °C

Vapour pressure:

0.013 Pa

Remarks on result:

other: RSD p 27.2 %

Vapour pressure 2

Temp.:

60 °C

Vapour pressure:

0.028 Pa

Remarks on result:

other: RSD p 1.8 %

Vapour pressure 3

Temp.:

75 °C

Vapour pressure:

0.103 Pa

Remarks on result:

other: RSD 6.2 %

Vapour pressure 4

Temp.:

90 °C

Vapour pressure:

0.135 Pa

Remarks on result:

other: RSD 22 %

Vapour pressure 5

Key result

Temp.:

20 °C

Vapour pressure:

0.002 Pa

Remarks on result:

other: calculated from the regression equation

Vapour pressure 6

Temp.:

25 °C

Vapour pressure:

0.003 Pa

Remarks on result:

other: calculated from the regression equation

Any other information on results incl. tables

Positive Control

For Diethylphthalate the following vapour pressure was determined and compared with recommended value

Results Positive Control

Vapour pressure (positive control) at 30°C:	0.831*10-1Pa
Criterion for the vapour pressure of the positive control at 30°C	0.44*10-1- 2.44*10-1Pa

The vapour pressure met the validity criteria. Therefore the study can be considered as valid.

Applicant's summary and conclusion

Conclusions:

For the test item, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation:
Vapour pressure at 20 °C: 2.40 * 10-3Pa,
Vapour pressure at 25 °C: 3.45 * 10-3Pa

Executive summary:

The vapour pressure of the test item BTG Pyrolytic Sugar was determined at four different temperatures (45, 60, 75 and 90 °C) according to OECD 104 resp. EU A.4 using the effusion method (weight loss).

When visible contaminations, caused by explosive evaporation of the test item, were ob- served, the cells were meticulously cleaned and weighed. This weight was used as initial weight for the subsequent measurements. To avoid bias, these measurements were not used for calculations.

Four experiments could be evaluated as they showed relevant and reproducible weight loss. All evaluated experiments showed good repeatability, giving relative standard deviations of less than 27 % (limit value from the guideline 30 %) and sufficient correlation.

Therefore, the result of the test can be considered valid.

Vapour pressure was examined at nine different temperatures. Four temperatures could be evaluated as they showed reproducible weight loss. For these temperatures, log (p) was plotted against 1/T.

On the basis of these findings, the following vapour pressure were calculated:

- at 318.2 K a VP of 1.33e-02 (sd 3.61e-03)

- at 333.2 K a VP of 2.82e-02 (sd 5.30e-03)

- at 348.2 K a VP of 1.03e-01 (sd 6.40e-03)

- at 363.2 K a VP of 1.35e-01 (sd 2.98e-02)

For the test item, the following vapour pressures at 20 °C and at 25 °C were calculated from the regression equation (The test item is a complex reaction product consisting of several chemical constituents, and therefore, the vapour pressure was calculated based on the average molecular weight of 0.425 kg/Mol):

Vapour pressure at 20 °C: 2.40 * 10-3Pa,

Vapour pressure at 25 °C: 3.45 * 10-3Pa