Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

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:

7 January 2004 to 14 January 2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Melting / freezing pt.:

> 158 - < 177 °C

Preliminary test

	Screening capillary	Standard DSC (10 ºC/min)
Tao	179 ºC	145 ºC
Taend	183 ºC	191 ºC
Teq	125 ºC
Tf	201 ºC

Melting temperature by DSC test

	Test 1 (ºC)	Test 2 (ºC)	Mean (ºC)	SD	2SD	Mean (ºK)	Rounded Mean (ºK)
Beginning of melt	157.29	159.46	158.38	1.1	2.2	431.53	432
Extrapolation onset	167.69	168.85	168.27	0.6	1.2	441.42	441
End of melt	176.19	177.44	176.82	0.6	1.2	449.97	450

 

Based on the shape of the standard DSC curve and observations during the preliminary capillary test, the endothermic change in enthalpy observed at less than 155 °C was believed to be a change in crystalline structure. The test substance melted at 158-178 °C (432 - 450 °K). Estimated accuracy of the method was ± 2.2 °C.

Conclusions:

Under the conditions of the test, the melting point of the test substance was determined to be 158 - 177 ºC (432 - 450 ºK).

Executive summary:

In a GLP compliant melting point study conducted in line with EU Method A1, the boiling point of butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino-4-oxo, tetradecyl ester was determined using the differential scanning calorimetry method. The melting point of the substance was determined to be 158 - 177 ºC (432 - 450 ºK).

Description of key information

Key study:- Brandt (2004) 'Physico-chemical properties with respect to melting, boiling and solid flammability' conducted in line with EU Method A.1. The melting point of the test substance was determined to be 158-177 ºC (432-450 ºK).

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

158 °C

Additional information

The key study (Brandt, 2004) was performed in compliance with GLP and to the EU Method A.1 with a sufficient level of detail to assess the quality of the presented data. The study was performed to a good standard in line with an accepted, standardised guideline and was assigned a reliability score of 1 using the principle for assessing data quality as set out in Klimisch et al. (1997). The melting point of the test substance was determined to be 158-177 ºC (432-450 ºK).