Ethyl 4-methyl-2-oxocyclohexanecarboxylate

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 11 May 2017 to 06 July 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

1996

Deviations:

no

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

245 °C

Atm. press.:

>= 988 - <= 990 hPa

DSC EXPERIMENT 1

During cooling from -5°C to -90°C, no effects were observed which were due to crystallization/freezing of the test item. During heating, an endothermic peak was observed between 75°C and 300°C (extrapolated onset temperature of the peak was 223.734°C). The endothermic effect was most likely obtained due to boiling of the test item. The extrapolated onset was not used for the calculation of the boiling temperature, since the test item was mostly evaporated before boiling due to the small amount of 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. The extrapolated onset temperature was 245.047°C. The endothermic peak had not shifted to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect. Since a higher heating rate was applied, the extrapolated onset was not used for calculation of the boiling temperature. After the experiment it was observed that the test item had evaporated from the sample container.

DSC EXPERIMENTS 3 AND 4

In order to determine the boiling temperature, a higher amount of test item was used. The extrapolated onset temperature was 244.630°C (Experiment 3) and 244.556°C (Experiment 4). After both experiments it was observed that the test item had evaporated from the sample container. DSC curve of Experiment 4: see picture below.

DATA HANDLING

The mean of Experiment 3 (244.630°C) and Experiment 4 (244.556°C) was reported as the boiling point of the substance.

 

Conclusions:

The boiling temperature of the substance was determined to be 245°C (at 989 hPa).

Executive summary:

Differential Scanning Calorimetry (DSC) experiments were performed in a GLP study according to EC A.2, OECD 103 and OPPTS 830.7220.

The boiling temperature of the substance was determined in duplicate obtaining a mean value of 245°C (at 989 hPa).

Description of key information

245°C (EC A.2, OECD 103 and OPPTS 830.7220: DSC)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

245 °C