2-methylpentyl 2-hydroxybenzoate

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

18-03-2020 to 13-05-2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Guideline study performed under GLP. All relevant validity criteria were met.

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

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

289.3 °C

Atm. press.:

1 024 hPa

Decomposition:

no

Remarks on result:

other: mean boiling point (n = 2); measurement under flow of nitrogen ; atmospheric pressure was 1024 ± 5 hPa.

Main study

- Experiment 1: During cooling, no thermal effects were found. During heating (+20°C/minute) an endothermic effect was observed between 175°C and 300°C. The extrapolated onset temperature of the effect was 244.303°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.

- Experiment 2: Was conducted to examine further the endothermic effect, a higher heating rate of 50°C/minute was used in the Experiment 2. The extrapolated onset temperature was 291.987°C. The endothermic effect had not shifted significantly to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect. After the experiment it was observed that the test item had evaporated from the sample container. Since a higher heating rate (+50°C/minute) was used, the extrapolated onset temperature was not used in the calculation of the boiling point.

- Experiment 3: Was conducted to further examine the melting and boiling temperature of the test item. Similar results as in Experiment 1 were obtained. The extrapolated onset of the boiling effect was 289.235°C. The difference in the extrapolated onset between Experiment 1 and Experiment 3 was > 1°C. After the experiment it was observed that the test item had evaporated from the sample container. The observed boiling temperature in Experiment 3 was 289.235°C which was in agreement with results observed in experiment 2. The test item might have been evaporated during the heating cycle, causing the lower boiling peak. Therefore, another experiment was performed to further investigate the boiling point, with the same conditions as experiment 3 without cooling.

- Experiment 4: Was conducted to further examine the boiling temperature of the test item. The heating rate (+20°C/minute) was the same as in Experiment 1 and Experiment 3. The extrapolated onset of the boiling peak was 279.801°C. The difference in the extrapolated onset between Experiment 3 and 4 was > 1°C. After the experiment it was observed that the test item had evaporated from the sample container.

- Experiment 5: Was conducted to further examine the extrapolated onset temperature and/or the boiling temperature of the test item. a larger sample mass of test item was used in Experiment 5, with a similar heating rate (+20°C/minute). The extrapolated onset of the boiling peak was 289.227°C. After the experiment it was observed that the test item had evaporated from the sample container. The boiling temperature was determined as the mean boiling temperature of Experiment 3 (289.235°C) and Experiment 5 (289.277°C).

- Other investigations:

An additional investigation of the melting temperature of the test item was performed placing two subsamples of the test item for 19 hours at -20.5 ± 1.9°C and at -83.7 ± 1.7°C,respectively. It was observed after storage that the test item was a liquid (-20.5 ± 1.9°C) and a very viscous liquid (-83.7 ± 1.7°C). It was observed that the test item was a liquid to less than -20.0°C in duplicate. It was concluded that the melting temperature of the test item was < -83.7°C (< 189.5K).

 

The melting temperature was determined as < -83.7°C (or <189.5K).

The boiling temperature was determined as the mean boiling temperature of Experiment 3 (289.235°C) and Experiment 5 (289.277°C). Mean (n=2) : 289.3°C at 1024 ± 5 hPa atmospheric pressure.

Conclusions:

The boiling temperature of the test item has been determined to be 289.3 °C (or 562.4 K)..

Executive summary:

The boiling temperature was examined using OECD TG 103 and EU Method A.2. with the Differential Scanning Calorimetry method under GLP. The guideline defines the standard boiling temperature as the temperature at which the vapour pressure of a liquid is the same as the standard pressure (i.e. 1013.25 hPa). The boiling temperature of the test item were determined as the mean boiling temperature obtained from at least two experiments, Experiment 3 (289.235°C) and Experiment 5 (289.277°C). The mean boiling point was 289.3 °C (or 562.4 K) at 1024 ± 5 hPa atmospheric pressure.

Description of key information

Bp: 289.3 °C (or 562.4 K) at ca. 1 atmosphere pressure, OECD TG 103 : DSC method, 2020

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

289.3 °C

Additional information

Key Study : OECD TG 103, 2021 : The boiling temperature was examined using OECD TG 103 and EU Method A.2. with the Differential Scanning Calorimetry method under GLP. The guideline defines the standard boiling temperature as the temperature at which the vapour pressure of a liquid is the same as the standard pressure (i.e. 1013.25 hPa). The boiling temperature of the test item were determined as the mean boiling temperature obtained from at least two experiments, Experiment 3 (289.235°C) and Experiment 5 (289.277°C). The mean boiling point was 289.3 °C (or 562.4 K) at 1024 ± 5 hPa atmospheric pressure.