(1α,2β,4β,6α)-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

26 November 2020 - 27 November 2020

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 for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

2018-11-15

Type of method:

differential scanning calorimetry

Boiling pt.:

191.5 °C

Atm. press.:

98.5 kPa

Decomposition:

no

Remarks on result:

other: First determination

Boiling pt.:

ca. 192.7 °C

Atm. press.:

ca. 98.5 kPa

Decomposition:

no

Remarks on result:

other: Second determination

Boiling pt.:

ca. 191.7 °C

Atm. press.:

ca. 98.3 kPa

Decomposition:

no

Remarks on result:

other: Third determination

Key result

Boiling pt.:

ca. 192.7 °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 was observed and measurement was stopped at 380°C (Figure 1).

The initial boiling point of the substance was observed at 192.2°C.

A corresponding mass loss was observed between the beginning and the end of the boiling peak. Temperature corresponding to this peak was 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	20	250	10	23	N2	60	NO

*Gas injection rate in the furnace. 

 

First Determination: 

Mass taken: 12.30 mg

Results:

Initial boiling point was observed at 191.5 °C (onset temperature of the peak) and a corresponding mass loss 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: 98.5 kPa

 

Second Determination: 

Mass taken: 14.60 mg

Results:

Initial boiling point was observed at 192.7°C (onset temperature of the peak) and a corresponding mass loss 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.

As the initial boiling point values of determinations 1 and 2 did not respect validity criteria (no more than 0.5°C of difference up to 326.85°C), a third determination was performed. 

Atmospheric pressure: 98.5 kPa

 

Third Determination: 

Mass taken: 12.09 mg

Results:

Initial boiling point was observed at 191.7°C (onset temperature of the peak) and a corresponding mass loss 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

Conclusions:

After correction using the Sydney Young equation, the initial boiling point of the substance was determined as 192.7°C at 101.3 kPa (mean of 192.6°C for the first determination and 192.9°C for the third determination).

Executive summary:

Introduction: A study was performed to determine the boiling point of test item ALPHA-PINENE EPOXIDE MULTICONSTITUENT using the Differential Scanning Calorimetry (DSC). The method followed was designed to be compliant with Regulation EC No. 440/2008 Method A.2. and OECD Test Guideline 103, "Boiling Point" (1995)

Methods: In this method, two crucibles were put in the apparatus furnace under inert atmosphere (nitrogen) 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.

 

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

 

Trial	Initial boiling point (°C)	Ambient pressure (kPa)
1	191.5	98.5
2	192.7	98.5
3	191.7	98.3

The initial boiling point values from trials 1 and 3 respect validity criteria (less than 0.5 °C of difference up to 326.85 °C).

Moreover, the melting point of the Indium respects the checking cards limits (156.3°C for a reference value of 156.6°C) so as the enthalpy (29.91 J/g for a reference value of 28.6 J/g). 

Conclusion: After correction using the Sydney Young equation, the initial boiling point of the substance was determined as 192.7°C at 101.3 kPa (mean of 192.6 °C for the first determination and 192.9 °C for the third determination).

Description of key information

The boiling point of  was determined to be 192.7°C at 101.3 kPa.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

192.7 °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.