(4E)-4-(3,3,4-trimethylcyclopentylidene)butanal

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

December 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method. The substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point/Boiling Range)

Version / remarks:

July, 27, 1995

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

Regulation (EC) n°440/2008

GLP compliance:

no

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

Storage Conditions: In the original glass container at ambient temperature in a dark place.

Key result

Boiling pt.:

250.3 °C

Atm. press.:

>= 100.1 - <= 100.2 kPa

Decomposition:

ambiguous

In the boiling point determination, a major endothermic signal was recorded. The peak profiles are a little spread, this may be due to the complex nature of the substance, and/or size of the hole in the commercial crucible top which generates a little evaporation before the boiling point. This early evaporation does not impact the accuracy of the boiling point since it is determined at the peak maximum.
The duplicate determinations are in the estimated accuracy of +/-0.5°C (according to the guidelines) at the same atmospheric pressure of 100.1-100.2 kPa. Therefore the final result will be expressed as a single boiling point, calculated as the average of the two values.

	Test item
	Assay 1	Assay 2	Final result
Boiling point (°C)	250.3	250.4	250.3 +/-0.1°C

For each boiling point assay, the crucible is weighted before and after filling and after measurement to validate that all the sample is vaporized. The weights of the crucibles are almost the same before filling and after measurement as shown in table below, the test item is evaporated during the measurement at more than 98%.

	Assay 1	Assay 2
Crucible weight before filling (mg)	114.51	115.06
Crucible weight after filling (mg)	124.12	130.17
Weight of sample (mg)	9.61	15.11
Crucible weight after measurement (mg)	114.67	115.34

It should be noted that, with the major peak, the baseline drifted to exothermal signal. Therefore, thermal decomposition during boiling cannot be excluded, which is not oxidative degradation, as prevented by use of N2 atmosphere.

Executive summary:

The boiling point of the test substance was determined according to OECD 102 / EU A1 guideline, using the DSC method. The test was conducted non-GLP, but sufficient details are provided.

Two main runs were performed, and the peak value was recorded. As the results were with accuracy, the average value was retained.

The boiling point of the test item is 250.3°C, with possible decomposition.

Description of key information

Experimental boiling point = 250.3°C at 100.1-100.2 kPa (not corrected to normal atmospheric pressure).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

250.3 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method, is available. It is considered as key study, and the result is retained as key data.