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Boiling point

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Reference
Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05 August 2015 - 08 August 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Well documented study performed according to OECD 103 guideline and EU method A.2, under GLP and without deviation
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling Point)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
2015-03-05
Type of method:
differential scanning calorimetry
Boiling pt.:
ca. 236.8 °C
Atm. press.:
ca. 1 016.3 hPa
Decomposition:
no
Remarks on result:
other: First determination
Boiling pt.:
ca. 237.1 °C
Atm. press.:
ca. 1 015.7 hPa
Decomposition:
no
Remarks on result:
other: Second determination
Key result
Boiling pt.:
ca. 236.8 °C
Atm. press.:
ca. 101.3 kPa
Remarks on result:
other: Corrected value with the Sydney Young equation

Pre-study:

Peaks assigned to the boiling of the substance were observed and measurement was stopped at 270°C (Figure 1).Temperatures corresponding to these peaks were used to create the following temperature program:

Temperature program:

Step

Initial temperature (°C)

Final Temperature (°C)

Heating rate (°C/min)

Duration (min)

Furnace atmosphere

Rate* (mL/min)

Liquid nitrogen cooling

1

-170

-170

0

10

He

60

YES

2

-170

300

20

20

He

60

NO

*Gas injection rate in the furnace. 

First Determination: 

Mass taken: 12.83 mg

Results:

Initial boiling point is observed at 236.8°C (onset temperature of the first peak) and a corresponding mass loss is observed on the TG curve, showing that all the substance was evaporated at the end of the study.

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: 1016.3 hPa

Second Determination: 

Mass taken: 12.59 mg

Results:

Initial boiling point is observed at 237.1°C (onset temperature of the first peak) and a corresponding mass loss is observed on the TG curve, showing that all the substance was evaporated at the end of the study. 

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: 1015.7 hPa

Conclusions:
According to guideline OECD 103 and method EU A.2, the initial boiling point of substance NERYL ACETATE was determined as 236.8°C at 101.3 kPa after correction using the Sydney Young equation.
Executive summary:

A study was performed to determine the boiling point of test item NERYL ACETATE. The method used was Differential Scanning Calorimetry (DSC) and the test was conducted according to Regulation EC No. 440/2008 Method A.2. and OECD Test Guideline 103, "Boiling Point" (1995)

In this method, two crucibles were put in the apparatus furnace under inert atmosphere (helium) at atmospheric pressure. One crucible contained the test item, the other was empty and considered as the reference. A specific temperature program was applied. The crucibles were linked to two thermocouples fixed on the TG-DSC sample carrier. Heat flow differences between the two crucibles and mass variation were recorded on a thermogram.

A cooling system using liquid nitrogen allowed experiments with low temperatures down to -170°C.

Two trials were conducted and corresponding thermograms were obtained, giving us the following results:

Trial

Initial boiling point

Ambient pressure

1

236.8 °C

1016.3 hPa

2

237.1 °C

1015.7 hPa

This study respects validity criteria (the difference temperature between the two determinations is less than 1°C), therefore it is considered valid.

After correction using the Sydney Young equation, the initial boiling point of the substance was determined as 236.8 °C at 101.3 kPa.

Description of key information

The boiling point of neryl acetate was determined to be 236.8°C at 101.3 kPa.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
236.8 °C

Additional information

Key study conducted according to the OECD 103 Guideline and the EU A.2 method, under GLP without deviation and with certificate of analysis included. Therefore, a reliability of 1 is assigned and the result of this key study is proposed as the end point value.