Tetrahydro-6-propyl-2H-pyran-2-one

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 20 March 2018 to 24 April 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 20 March 2018 to 24 April 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Melting / freezing pt.:

>= -17 - <= -12.1 °C

Atm. press.:

>= 996.6 - <= 998.8 hPa

Remarks on result:

other: mean of 2 measurements

Three experiments were performed to investigate the melting and boiling behaviour of the substance.

 

DSC EXPERIMENT 1

During cooling, several exothermic peaks between -80°C and -60°C were found (due to crystallization of the test item). During heating, two endothermic peaks were observed between -50°C and 0°C. The two peaks partially overlapped. As a result, the extrapolated onset temperature of the first peak and the peak maximum of the second peak were determined. The extrapolated onset temperature of the first peak was -17.296°C. The peak maximum of the second peak was -12.284°C. These endothermic effects were due to melting of the test item. Another endothermic peak was observed between 175°C and 275°C and ascribed to boiling (see endpoint 4.3).

 

DSC EXPERIMENT 2

Investigation of the presumed boiling peak, see endpoint 4.3.

 

DSC EXPERIMENT 3

Experiment 3 was performed as a duplicate of Experiment 1.  Similar results as in Experiment 1 were obtained. The extrapolated onset of the first melting peak was -16.715°C. The peak maximum of the second melting peak was -11.817°C. 

 

DATA HANDLING

Since two effects were observed which were due to melting of the test item, and the two peaks partially overlapped, it was decided to report a melting range instead of a melting temperature.

The melting range was determined as the range between the mean melting temperature (onset temperature) of the first melting peak and the mean peak maximum of the second melting peak, as determined during Experiment 1 (-17.296°C (first peak) and -12.284°C (second peak)) and Experiment 3 (-16.715°C (first peak) and -11.817°C (second peak)). 

Conclusions:

The melting range of the substance was determined to be from -17.0 to -12.1°C.

Executive summary:

Differential Scanning Calorimetry (DSC) experiments were performed in a GLP study according to EC A.1, OECD 102 and OPPTS 830.7200.

During heating, two endothermic peaks were observed between -50°C and 0°C. Since both effects were due to melting of the test item, and because the two peaks partially overlapped, it was decided to report a melting range instead of a melting temperature.

The melting range of the substance was determined to be from -17.0 to -12.1°C.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

1996

Deviations:

no

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

Tetrahydro-6-propyl-2H-pyran-2-one

EC Number:

211-820-5

EC Name:

Tetrahydro-6-propyl-2H-pyran-2-one

Cas Number:

698-76-0

Molecular formula:

C8H14O2

IUPAC Name:

tetrahydro-6-propyl-2H-pyran-2-one

Test material form:

liquid

Details on test material:

Appearance: Clear colourless to pale yellow liquid
Storage: In refrigerator (2-8°C)

Results and discussion

Boiling point

Key result

Boiling pt.:

259 °C

Atm. press.:

>= 996.6 - <= 998.8 hPa

Remarks on result:

other: mean of 2 measurements

Any other information on results incl. tables

Three experiments were performed to investigate the melting and boiling behaviour of the substance.

 

DSC EXPERIMENT 1

During cooling, several exothermic peaks between -80°C and -60°C were found (due to crystallization of the test item). During heating, two endothermic peaks were observed between -50°C and 0°C. The two peaks partially overlapped and were ascribed to melting (see endpoint 4.2). Another endothermic peak was observed between 175°C and 275°C. The extrapolated onset temperature of the peak was 258.682°C. The endothermic effect was most likely caused by boiling of the test item. After the experiment it was observed that the test item had evaporated from the sample container.

DSC EXPERIMENT 2

In order to investigate the boiling peak, a higher heating rate of 50°C/minute was used in the Experiment 2. The extrapolated onset temperature was 259.649°C. The endothermic peak had not shifted to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect. After the experiment it was observed that the test item had evaporated from the sample container. The extrapolated onset temperature was not used for calculation of the boiling temperature since it was obtained with a higher heating rate.

 

DSC EXPERIMENT 3

Experiment 3 was performed as a duplicate of Experiment 1.  Similar results as in Experiment 1 were obtained.  The extrapolated onset of the boiling peak was 259.312°C.

 

DATA HANDLING

The boiling temperature was determined as the mean extrapolated onset temperature of Experiment 1 (258.682°C) and Experiment 3 (259.312°C).

Applicant's summary and conclusion

Conclusions:

The boiling temperature of the substance was determined to be 259.0°C (at 998 ± 1 hPa).

Executive summary:

The boiling temperature of the substance was determined using Differential Scanning Calorimetry in a GLP study according to EC A.2, OECD 103 and OPPTS 830.7220.

From duplicate experiments, the boiling temperature was determined to be 259.0°C (at 998 ± 1 hPa).