3-ETHYL-5,5-DIMETHYL-GAMMA BUTYROLACTONE

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental Dates: 02 to 04 December 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, with no deviation, and under GLP. The test substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

Commission Regulation (EC) No 440/2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

signed on 15 Nov. 2018

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

221.6 °C

Atm. press.:

101.3 kPa

First Determination

Mass taken: 14.15 mg
Initial boiling point was observed at 220.3°C (onset temperature of the peak) and a mass loss of 14.016 mg (99.1%) was observed between the beginning and the end of the boiling peak.
The crucible was visually checked after the determination: By opening the crucible, no test item left in the crucible and no sign of decomposition was observed.
Atmospheric pressure: 98.3 kPa..

Second Determination

Mass taken: 14.35 mg
Initial boiling point was observed at 219.9°C (onset temperature of the peak) and a mass loss of 14.343 mg (100.0%) was observed between the beginning and the end of the boiling peak.
The crucible was visually checked after the determination: By opening the crucible, no test item left in the crucible and no sign of decomposition was observed.
Atmospheric pressure: 97.3 kPa.

Third Determination

Mass taken: 13.54 mg
Initial boiling point was observed at 219.9°C (onset temperature of the peak) and a mass loss of 13.471 mg (99.5%) was observed between the beginning and the end of the boiling peak.
The crucible was visually checked after the determination: By opening the crucible, no test item left in the crucible and no sign of decomposition was observed.
Atmospheric pressure: 97.2 kPa.

Sydney-Young Correction

The corrected values at 101.3 kPa following Sidney-Young equation were determined to be 221.5°C for the first determination, 221.6°C for the second determination and 221.6°C for the third determination.

A third determination was performed because the final melting point values (measured during the same assay) of determinations 1 and 2 did not respect validity criteria (no more than 0.5°C of difference up to 326.85°C). According to the study plan, the two measurements with the closest results were taken into account. In our case, determinations 1 and 3 were retained and comply with the validity criteria. The same average was applied for the initial boiling point.

Executive summary:

The boiling point of the test substance was determined under GLP according to OECD 103 / EU A2 guideline, using the DSC method.
Three main runs were performed, under inert atmosphere. Boiling occurs as a single peak.
After correction using the Sydney Young equation, the initial boiling point of the substance was determined as 221.6°C at 101.3 kPa.

Description of key information

Experimental boiling point = 221.6°C (corrected to normal atmP, under inert atmosphere). (OECD 103, DSC; GLP)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

221.6 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as key study, and the result is retained as key data.