(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25-08-2009 / 21-10-2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Report date:

2009

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

RS-Pantolactone

IUPAC Name:

RS-Pantolactone

Constituent 2

Reference substance name:

(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

EC Number:

201-210-7

EC Name:

(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

Cas Number:

79-50-5

Molecular formula:

C6H10O3

IUPAC Name:

(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

Details on test material:

- Name of test material (as cited in study report): RS-Pantolactone
- Physical state: Waxy Solid, white
- Analytical purity: 99.7 %
- Lot/batch No.: Bx TL 00905003
- Expiration date of the lot/batch: May 2011
- Storage condition of test material: At room temperature at about 20 °C

Results and discussion

Boiling point

Boiling pt.:

242.4 °C

Atm. press.:

98.9 kPa

Decomposition:

no

Any other information on results incl. tables

The determinations of the boiling point/boiling range of the test item were performed according to Council Regulation (EC) No. 440/2008, A.2 Boiling temperature and to the OECD Guideline No. 103: Boiling Point, adopted July 27, 1995.

 

Preliminary Test

Several endothermic heat effects were observed, the first peak starting at 66.5 °C. After the experiment, the sample had lost about 100% of its mass. The cup was empty and there was no residue.

 

 

Main Test     

To confirm the results obtained during the preliminary tests, a further DSC run was performed in the temperature range between 190 °C and 290 °C using a sample cube with a defined perforation.

During this first main test run, an endothermic reaction was observed at 242.1 °C. Therefore, another main test run was recorded within the immediate vicinity of the peak temperature (190 °C 290 °C) with a temperature rise of 10 °C/min. In the second DSC run the boiling was observed at 242.7 °C. After the experiment, the cup was completely empty and the test item lost about 99.0% to 99.8%, respectively, of its mass.

 

The atmospheric pressure during the measurements was 98.9 kPa (first and second main test).

 

The results of the individual measurements are summarized in the table below.

 

Applicant's summary and conclusion

Conclusions:

The boiling point of RS-Pantolactone was determined to be

242.4 °C,
which is equal to 515.6 K.

The estimated accuracy is ± 0.5 K.

Executive summary:

The boiling point of RS-Pantolactone was determined to be 242.4 °C which is equal to 515.6 K using thermal analysis (DSC).

The atmospheric pressure during the measurements was 98.9 kPa.