Reaction mass of 4-(2-methylbutan-2-yl)phenol and 2,4-bis(2-methylbutan-2-yl)phenol

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

19 September 2015 to 28 November 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Key result

Melting / freezing pt.:

82 - 85 °C

Atm. press.:

1 013.25 hPa

Decomposition:

yes

Decomp. temp.:

> 200 °C

Sublimation:

no

Preliminary test

From 200°C upwards the weight of the sample decreased significantly. At 249°C the sample weight had decreased by 25%.

After the experiment it was observed that the test item was evaporated from the sample container.

 

Main study

A broad endothermic peak between 50°C and 100°C was observed. The peak maximum of the peak was 85.31°C. The effect was most likely obtained due to melting of the test item. An endothermic peak between 200°C and 300°C was observed. After the experiment it was observed that the test item was evaporated from the sample container.

Experiment 2 was performed to determine the duplicate results of the test item. The temperature program was similar as the program of Experiment 1. Similar results as with Experiment 1 were obtained. The peak maximum of the first endothermic peak was 84.38°C. The extrapolated onset of the second endothermic peak was 260.29°C. After the experiment it was observed that the test item was evaporated from the sample container.

During experiment 3 a closed sample container and a repeated heating cycle were used to investigate the melting peak. With the first heating the peak maximum of the first endothermic peak was 82.04°C.

During cooling an exothermic peak was observed between 20°C and 40°C (results are archived in the raw data). The effect was obtained due to crystallization of the test substance.

With the second heating an endothermic peak between 50°C and 100°C was observed. The peak maximum of the peak was 80.43°C. This temperature was not used in the calculation of melting temperature, since it was melting of crystalized test substance. The results demonstrated that the endothermic effect was due to melting of the test substance.

The second endothermic peak was observed at 263.04°C.

After the experiment it was observed that the test item was evaporated from the sample container.

The test item exhibited a broad melting peak, which could be explained by the fact that the test item was a reaction mass. Therefore it was decided to report a melting range, obtained from the peak maxima of Experiment 1 (85.31°C), Experiment 2 (84.38°C) and Experiment 3 (82.04°C).

Conclusions:

The melting temperature of Phenol, 1,1-dimethylpropyl derivs. was determined at 82 − 85°C (355 − 358K) by using DSC.

Executive summary:

The purpose of the study was to determine the physico-chemical properties for Phenol, 1,1-dimethylpropyl derivs.

 

The study was performed to the following guideline:

European Community (EC), EC no. 440/2008, Part A: Methods for the Determination of Physico-Chemical Properties, Guideline A.1: “Melting/Freezing Temperature”, Official Journal of the European Union no. L142, May 31, 2008.

Organization for Economic Co-operation and Development (OECD), OECD Guidelines for the Testing of Chemicals no. 102: "Melting Point / Melting Range", July 27, 1995.

United States Environmental Protection Agency (EPA), Product Properties Test Guidelines no. OPPTS 830.7200: "Melting Point/Melting Range", March 1998.

 

The melting temperature of Phenol, 1,1-dimethylpropyl derivs. was determined at 82 − 85°C (355 − 358K) by using DSC.

Description of key information

Key value determined in a GLP accredited laboratory study using DSC  in accordance with OECD Guideline 102, EU Method A.1 and US EPA Procedure OPPTS 830.7200.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

85 °C

Additional information

The test item exhibited a broad melting peak, which could be explained by the fact that the test item was a reaction mass. Therefore it was decided to report a melting range, obtained from the peak maxima of Experiment 1 (85.31°C), Experiment 2 (84.38°C) and Experiment 3 (82.04°C).