Quaternary ammonium compounds, C12-18-alkyltrimethyl, chlorides

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing point

Type of information:

read-across based on grouping of substances (category approach)

Adequacy of study:

key study

Study period:

From 08 February, 2012 to 07 March, 2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

KL2 due to RA

Justification for type of information:

Refer to the Quaternary ammonium salts (QAS) category or section 13 of IUCLID for details on the category justification.

Reason / purpose for cross-reference:

read-across source

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

GLP compliance:

yes (incl. QA statement)

Type of method:

other: Differential scanning calorimetry as well as capillary method

Key result

Decomposition:

yes

Decomp. temp.:

> 160 °C

Remarks on result:

other: The test substance has no melting point at atmospheric pressure (1013 hPa) as it decomposes at a temperature >160°C.

First test series:

RT-80°C: In the temperature range of 42-70°C an endothermic effect was detected. At 80°C the test substance was still solid and its colour was unchanged. No mass loss of could be measured.

RT-140°C: In the temperature range of 35-85°Can endothermic effect was detected. In the temperature range of approx. 125-135°C a very small exothermal effect could be measured, which can be neglected due to its slight energy of <10 J/g. At 140°C the test substance was still solid and its colour was still slightly yellow. A slight mass loss of 0.09 mg (0.4%) could be measured.

RT-210°C: In the temperature range of 40-85°C an endothermic effect was detected. The measurement showed an exothermal effect in the temperature range of 165-210°C. At 210 °C the colour of the test substance changed to black and a minor mass loss of 1.79 mg (6%) could be measured.

RT-240°C: In the temperature range of 35-70°C an endothermic effect was detected. The measurement showed an exothermal effect in the temperature range of 170-200°C, directly followed by a second endothermic effect in the temperature range of 200-240°C. At 240 °C the colour of the test substance changed to black and a mass loss of 25.26 mg (94%) could be measured.

RT-300°C: In the temperature range of 45-85°C an endothermic effect was detected. The measurement showed an exothermal effect in the temperature range of 165-200°C, directly followed by a second endothermic effect in the temperature range of 200-255°C. At 300°C the colour of the test substance changed to black and a mass loss of 22.51 mg (95%) could be measured.

 

Second test series:

0-80 -0-140-0 -210-25°C: During heating up from 0°C to 80°C an endothermic effect in the temperature range of 30-80°C was observed. During cooling down from 80°C to 0°C neither endothermic nor exothermic effects were observed. During heating up again from 0°C to 140°C an endothermic signal was observed at 70-80°C two small exothermal effects in the temperature range of 105-130°C. During cooling down again from 140°C to 0°C neither endothermic nor exothermic effects were observed. During the subsequent heating up to 210°C an endothermic effect could be observed in the temperature range of 70-85°C and an exothermal effect could be observed in the temperature range of approximately 160-210°C. The cooling down to 25°C showed no thermal effect. A mass loss of 3.26 mg (13%) could be measured.

0-240-25°C: During heating up from 0°C to 240°C an endothermic effect in the temperature range from 35- 85°C could be observed. In the temperature range of approximately 1 20-130°C a small exothermal effect was detected. In the temperature range of 160-215°C a second exothermal effect was observed. During cooling down from 240°C to 25°C neither endothermic nor exothermic effects were observed. A mass loss of 28.25 mg (93%) could be measured.

0-300-25 °C: During heating up from 0°C to 300°C an endothermic effect in the temperature range from 35-85°C could be observed. In the temperature range of 160-195°C an exothermal effect was observed, directly followed by a second endothermic effect in the temperature range of 195-250°C. During cooling down from 300°C to 25°C neither endothermic nor exothermic effects were observed. A mass loss of 23.50 mg (94%) could be measured.

Measurements by the capillary method:

	Sample 1
Filling height	5 mm
Start (30˚C)	Slight yellow solid
195˚C	Surface of the sample changes to yellow and brown at increasing temperatures, still soild
240˚C	The brown surface of the sample starts melting and boiling
251˚C	The whole sample starts sintering
255˚C	The top of the sample moves through
259˚C	The whole sample melts after bubbling

The measurement with the capillary method confirmed the results of the DSC-measurements concerning the melting behavior.

Conclusions:

Under the study conditions, the read across substance has no melting point at atmospheric pressure (1013 hPa). It undegoes decomposition before melting at a temperature >160°C.

Executive summary:

A study was conducted to determine the melting point of the read across substance, Coco TMAC (98.4% active) using differential scanning calorimetry as well as capillary methods, according to OECD 102 and EU Method A.1 Guidelines in compliance with GLP . Under the study conditions, the read across substance has no melting point at atmospheric pressure (1013 hPa). It undergoes decomposition before melting at a temperature >160°C. (Möller, 2012).

Description of key information

The melting point of the read across substance, Coco TMAC was determined using differential scanning calorimetry as well as capillary methods, according to OECD Guideline 102 and EU Method A.1 (Möller, 2012).

Additional information

No melting point could be determined, as the read across substance decomposed before melting at a temperature >160°C.