Benzyl 2-methoxy-4-prop-1-enylphenyl ether

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

Benzyl 2-methoxy-4-prop-1-enylphenyl ether

EC Number:

204-370-6

EC Name:

Benzyl 2-methoxy-4-prop-1-enylphenyl ether

Cas Number:

120-11-6

Molecular formula:

C17H18O2

IUPAC Name:

benzyl 2-methoxy-4-prop-1-enylphenyl ether

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

54.2 °C

Atm. press.:

97.8 kPa

Applicant's summary and conclusion

Conclusions:

The melting point of the substance was determined as 54.2°C (obtained during the second heating phase).

Executive summary:

Introduction. A study was performed to determine the melting point/range and boiling point of test item BENZYL ISO EUGENOL using the Differential Scanning Calorimetry (DSC). The method followed was designed to be compliant with Regulation EC No. 440/2008 Method A.1 and A.2. and OECD Test Guideline 102 , "Melting Point/Melting Range" and No. 103, "Boiling Point" (1995).

Testing was conducted between 20 July 2018 and 6 August 2018.

Methods. 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 -120°C.

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

Trial       Melting point       Exothermic peak (degradation temperature)       Endothermic peak (after degradation)       Ambient pressure (kPa)

1              54.2 °C              255.8 °C                                                               361.0 °C                                                 97.8

2              54.1 °C              255.6 °C                                                               361.0 °C                                                 97.8

The melting point 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 (156.7°C for a reference value of 156.6°C) so as its enthalpy (29.05 J/g for a reference value of 28.6 J/g).

Conclusion. The melting point of the substance was determined as 54.2°C (obtained during the second heating phase).

An exothermic peak was observed at 255.7°C (mean of 256.8 °C for the first determination and 256.6°C for the second determination) and corresponds to the degradation of the substance.

An endothermic peak was determined at 361.0 °C (mean of 361.0 °C for the first determination and 361.0°C for the second determination) and corresponds with the boiling of the degraded test item.