2-methylpentyl 2-hydroxybenzoate

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:

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 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

Type of method:

differential scanning calorimetry

Key result

Melting / freezing pt.:

<= -83.7 °C

Atm. press.:

ca. 1 024 hPa

Decomposition:

no

Sublimation:

no

Remarks on result:

other: mean melting point (n = 2)

- 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 melting temperature of the test item has been determined to be < -83.7 °C (or < 189..5 K). At above this temperature the substance is considered to be liquid.

Executive summary:

The melting temperature was determined using OECD TG 102 and EU Method A.1 with the Differential Scanning Calorimetry method under GLP. The guideline defines the melting temperature as: the temperature at which the phase transition from solid to liquid state occurs at atmospheric pressure and this temperature ideally corresponds to the freezing temperature. During cooling, no exothermic effect was observed that were obtained due to crystallization. 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. Further DSC runs were performed to evaluate boiling point. 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). At above this temperature the substance is considered to be liquid.

Description of key information

Mp: < -83.7 °C (or < 189.5 K) at 1 atmosphere, OECD TG 102 : DSC Method, 2020

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

-83.7 °C

Additional information

Key Study : OECD TG 102, 2020 : The melting temperature was determined using OECD TG 102 and EU Method A.1 with the Differential Scanning Calorimetry method under GLP. The guideline defines the melting temperature as: the temperature at which the phase transition from solid to liquid state occurs at atmospheric pressure and this temperature ideally corresponds to the freezing temperature. During cooling, no exothermic effect was observed that were obtained due to crystallization. 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. Further DSC runs were performed to evaluate boiling point. 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). At above this temperature the substance is considered to be liquid.