4-sec-butyl-2,6-di-tert-butylphenol

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 29 May 2018 to 19 June 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 29 May 2018 to 19 June 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Atm. press.:

1 013 hPa

Remarks on result:

other: Glass transition point: -54.6°C. The substance has no melting/freezing temperature between 25°C and -90°C.

DSC EXPERIMENT 1

During cooling, a glass transition was observed between -80°C and -50°C. During heating, a glass transition was observed between -75°C and -50°C. The inflection point of the glass transition was -54.720°C. An endothermic peak was observed between 225°C and 325°C. The extrapolated onset temperature of the peak was 287.394°C. The endothermic effect was most likely obtained due to boiling of the test item. After the experiment it was observed that the test item had evaporated from the sample container. DSC curve recorded during heating: see illustration below.

DSC EXPERIMENT 2

In order to investigate the endothermic peak, a higher heating rate of 50°C/minute was used in Experiment 2. The extrapolated onset temperature was 287.933°C. The endothermic peak had not shifted to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect. Since a higher heating rate was applied, the extrapolated onset was not used for calculation of the boiling temperature. After the experiment it was observed that the test item had evaporated from the sample container.

DSC EXPERIMENT 3

Experiment 3 was performed as a duplicate of Experiment 1. Similar results as in Experiment 1 were obtained. The inflection point of the glass transition was -54.516°C. The extrapolated onset of the boiling peak was 287.904°C. After the experiment it was observed that the test item had evaporated from the sample container.

DATA HANDLING

The glass transition temperature was determined as the mean inflection point of Experiment 1 and Experiment 3.

Conclusions:

A glass transition temperature of -54.6°C was determined. The substance has no melting/freezing temperature between 25°C and -90°C.

Executive summary:

Differential Scanning Calorimetry (DSC) experiments were performed in a GLP study according to EC A.1, OECD 102 and OPPTS 830.7200.

The liquid substance has no melting/freezing temperature between 25°C and -90°C. From duplicate measurements the mean glass transition temperature was determined to be -54.6°C.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

4-sec-butyl-2,6-di-tert-butylphenol

EC Number:

241-533-0

EC Name:

4-sec-butyl-2,6-di-tert-butylphenol

Cas Number:

17540-75-9

Molecular formula:

C18H30O

IUPAC Name:

4-(butan-2-yl)-2,6-di-tert-butylphenol

Test material form:

liquid

Details on test material:

Appearance: Colourless to yellowish liquid
Test item storage: At room temperature

Results and discussion

Boiling point

Key result

Boiling pt.:

287.6 °C

Atm. press.:

1 013 hPa

Any other information on results incl. tables

The boiling temperature was determined as the mean extrapolated onset of Experiment 1 (287.394°C) and Experiment 3 (287.904°C).

Applicant's summary and conclusion

Conclusions:

The boiling temperaturewas determined to be 287.6°C (at 1013 hPa).

Executive summary:

The boiling temperature of the substance was determined using Differential Scanning Calorimetry in a GLP study according to EC A.2, OECD 103 and OPPTS 830.7220.

From duplicate experiments, the boiling temperature was determined to be 287.6°C (at 1013 hPa).