4-acetyl-2-methylbenzoic acid

Boiling point

Administrative data

Endpoint:

boiling 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

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

4-acetyl-2-methylbenzoic acid

EC Number:

856-079-4

Cas Number:

55860-35-0

Molecular formula:

C10H10O3

IUPAC Name:

4-acetyl-2-methylbenzoic acid

Test material form:

solid: particulate/powder

Results and discussion

Boiling point

Key result

Boiling pt.:

325 °C

Atm. press.:

100.8 kPa

Decomposition:

yes

Decomp. temp.:

325 °C

Any other information on results incl. tables

Aliquots of about 0.005 g of the test substance were weighed into aluminium crucibles with either pre-perforated or manually pierced lids. The boiling temperature was determined in six independent runs using a differential scanning calorimeter.

Determination 1: 0.0050 g, pre-perforated lid

Determination 2: 0.0048 g, pre-perforated lid

Determination 3: 0.0050 g, manually pierced lid

Determination 4: 0.0055 g, manually pierced lid

Determination 5: 0.0048 g, manually pierced lid

Determination 6: 0.0051 g, manually pierced lid

A Mettler Toledo DSC822 calorimeter with a ThermoHaake Cooler EK45/MT was used. The temperature program was started at 20 °C and the samples were heated up to 450 °C with a rate of 20 °C/minute. Determinations 1 to 4 were done under static air and determinations 5 and 6 under nitrogen atmosphere. The thermograms of the determinations 1 and 2 (with pre-perforated lids) with an elevated endotherm start temperature indicated boiling of the test substance, whereas the remaining residue for all determinations confirmed a degree of decomposition that was associated with this process. Therefore, the boiling temperature was determined on the basis of runs 1 and 2 only. An approximate boiling temperature of 325 °C at an atmospheric pressure of 100.8 kPa was determined. From the residu remaining after all determinations it was confirmed that decomposition occurred both in air and under a nitrogen atmosphere, indicating the process was most likely thermal and not oxidative. 

Applicant's summary and conclusion

Conclusions:

The boiling temperature was determined to be about 325 °C at a pressure of 100.8 kPa. Boiling was associated with decomposition.

Executive summary:

The boiling temperature of the substance was studied under GLP to OECD TG 103, using a differential scanning calorimeter. Aliquots of about 0.005 g of the test substance were weighed into aluminium crucibles with either pre-perforated or manually pierced lids. The boiling temperature was determined in six independent runs using a differential scanning calorimeter. Two runs with pre-perforated lids and four runs with manually pierced lids were performed. A Mettler Toledo DSC822 calorimeter with a ThermoHaake Cooler EK45/MT was used. The temperature program was started at 20 °C and the samples were heated up to 450 °C with a rate of 20 °C/minute. Determinations 1 to 4 were done under static air and determinations 5 and 6 under nitrogen atmosphere. The thermograms of the determinations 1 and 2 (with pre-perforated lids) with an elevated endotherm start temperature indicated boiling of the test substance, whereas the remaining residue for all determinations confirmed a degree of decomposition that was associated with this process. Therefore, the boiling temperature was determined on the basis of runs 1 and 2 only. An approximate boiling temperature of 325 °C at an atmospheric pressure of 100.8 kPa was determined. From the residu remaining after all determinations it was confirmed that decomposition occurred both in air and under a nitrogen atmosphere, indicating the process was most likely thermal and not oxidative.