Quaternary ammonium compounds, bis(hydrogenated tallow alkyl)dimethyl, acetates

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

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

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

- Purity: 100%

Melting / freezing pt.:

37.119 - 42.608 °C

Atm. press.:

101.325 kPa

Decomposition:

yes

Decomp. temp.:

> 175 °C

In the preliminary test, starting at 125°C, the weight of the sample decreased significantly. At 363°C, the sample weight had decreased by 25%. After the experiment, a light yellow molten residue remained in the sample container (original colour: off white). The change of the colour indicated reaction and/or decomposition of the test item.

In the main study, an endothermic effect was observed between 25°C and 75°C followed by an endothermic effect starting at 175°C. The extrapolated onset temperature of the first effect was not calculate since the effect was observed from the start of the measurement. The first endothermic effect was most likely obtained due to melting of the test item. The second endothermic effect was probably obtained due to reaction and/or decomposition of the test item. After the experiment, a light yellow molten residue remained in the sample container (original colour: off white). The change of the colour indicated reaction and/or decomposition of the test item. Based on this visual observation, it was found that the test item had molten and the change of the colour demonstrated reaction and/or decomposition of the test item.

In order to investigate the endothermic effect, Experiment 2 started at a lower temperature and stopped directly after the melting effect. The extrapolated onset temperature was 42.608°C. After the experiment, a white off-white molten residue remained in the sample container (original colour: off white). It demonstrated that melting was the reason for the endothermic effect.

Experiment 3 was performed as a duplicate of Experiment 2. Similar results as in Experiment 1 were obtained. The extrapolated onset of the melting effect was 37.119°C. After the experiment, a white off-white molten residue remained in the sample container.

The difference in the extrapolated onset temperature between Experiment 2 and Experiment 3 was > 0.5°C. Therefore, Experiment 4 was performed applying an identical temperature program. The extrapolated onset temperature was 39.497°C. As this value was in line with the inflection points observed in Experiment 1 and Experiment 2, results were accepted and it was decided to report the temperature range as observed in all three experiments. After the experiment, a white off-white molten residue remained in the sample container. 

The melting temperature was reported as the range obtained from Experiment 2 (42.608°C), Experiment 3 (37.119°C) and Experiment 4 (39.497°C).

Conclusions:

The melting point of the test item is 37.119-42.608°C.

Executive summary:

The melting temperature of the test itemwere determined using differential scanning calorimetry (DSC) in accordance with OECD Guideline 102. As a safety precaution for the DSC cell a preliminary test was performed using a thermogravimetric analyzer (TGA). In the preliminary test, starting at 125°C, the weight of the sample decreased significantly. At 363°C, the sample weight had decreased by 25%. After the experiment, a light yellow molten residue remained in the sample container (original colour: off white). The change of the colour indicated reaction and/or decomposition of the test item.

In the main study, an endothermic effect was observed between 25°C and 75°C followed by an endothermic effect starting at 175°C. The extrapolated onset temperature of the first effect was not calculate since the effect was observed from the start of the measurement. The first endothermic effect was most likely obtained due to melting of the test item. The second endothermic effect was probably obtained due to reaction and/or decomposition of the test item. After the experiment, a light yellow molten residue remained in the sample container (original colour: off white). The change of the colour indicated reaction and/or decomposition of the test item. Based on this visual observation, it was found that the test item had molten and the change of the colour demonstrated reaction and/or decomposition of the test item.

In order to investigate the endothermic effect, Experiment 2 started at a lower temperature and stopped directly after the melting effect. The extrapolated onset temperature was 42.608°C. After the experiment, a white off-white molten residue remained in the sample container (original colour: off white). It demonstrated that melting was the reason for the endothermic effect.

Experiment 3 was performed as a duplicate of Experiment 2. Similar results as in Experiment 1 were obtained. The extrapolated onset of the melting effect was 37.119°C. After the experiment, a white off-white molten residue remained in the sample container.

The difference in the extrapolated onset temperature between Experiment 2 and Experiment 3 was > 0.5°C. Therefore, Experiment 4 was performed applying an identical temperature program. The extrapolated onset temperature was 39.497°C. As this value was in line with the inflection points observed in Experiment 1 and Experiment 2, results were accepted and it was decided to report the temperature range as observed in all three experiments. After the experiment, a white off-white molten residue remained in the sample container. 

The melting temperature was reported as the range obtained from Experiment 2 (42.608°C), Experiment 3 (37.119°C) and Experiment 4 (39.497°C).

Description of key information

OECD Guideline 102

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

37.1 °C