(4E)-5-cyclohexyl-2,4-dimethylpent-4-enal

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25-06-2018 to 29-06-2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study performed under GLP. All relevant validity criteria were met.

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: July 2017 ; signature: November 2017

Type of method:

differential scanning calorimetry

Boiling pt.:

ca. 535 K

Atm. press.:

102 kPa

Decomposition:

no

Remarks on result:

other: 261.8 ±0.5 °C; no decomposition was reported in the study

Measured temperatures were converted from °C to K using T = t + 273.15

T = temperature (K)

t = temperature (°C)

	Thermal Event	Interpretation	Temperature
			ºC	K
Determination 1	onset temperature (228.29) and endotherm extrapolated boiling temperature (261.89 ºC)	Boiling temperature.	261.89	535.04
Determination 2	onset temperature (228.65) and endotherm extrapolated boiling temperature (261.72 ºC)	Boiling temperature.	261.72	534.87

Atmospheric pressure : 102.0 kPa

Mean boiling temperature : 261.8 ±0.5 °C (535.0 ±0.5 K).

 

Overall result: Boiling at 261.8 ±0.5 °C (535 ±0.5 K) at 102.0 kPa

Conclusions:

The boiling temperature of the test item has been determined to be: 261.8 ±0.5 °C at 102.0 kPa atmospheric pressure.

Executive summary:

The boiling temperature was determined using EU Method A.2 and OECD TG 103 Differential Scanning Calorimetry (DSC) method under GLP. The test item was tested in duplicate. The mean boiling temperature was determined to be 261.8 ±0.5 °C (or 535.0 ±0.5 K) at 102.0 kPa atmospheric pressure. There was no evidence of substance decomposition during the course of the test. The boiling point is considered to be 261.8 ±0.5 °C (or 535.0 ±0.5 K) at 102.0 kPa.

Description of key information

Weight of evidence : The substance boiling point is : 260°C (or 533.2 K) at 101.325 kPa, 2020

1. Bp: 261.8 ±0.5 °C (or 535.0 ±0.5 K) at 102.0 kPa atmospheric pressure, EU Method A.2 - DSC method, 2018

2. Bp: 260.1 ± 1.0 °C (or 533.2 ± 1.0 K) at 100.4 to 101.4 kPa atmospheric pressure, EU Method A.2 - DSC method, 2020

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

260 °C

Additional information

Key study : EU Method A.2, 2018 : The boiling temperature was determined using EU Method A.2 and OECD TG 103 Differential Scanning Calorimetry (DSC) method under GLP. The test item was tested in duplicate. The mean boiling temperature was determined to be 261.8 ±0.5 °C (or 535.0 ±0.5 K) at 102.0 kPa atmospheric pressure. There was no evidence of substance decomposition during the course of the test. The boiling point is considered to be 261.8 ±0.5 °C (or 535.0 ±0.5 K) at 102.0 kPa.

Key study : EU Method A.2, 2020 : The boiling temperature was determined using EU Method A.2 and OECD TG 103 Differential Scanning Calorimetry (DSC) method under GLP. The test item was tested in six different determination conditions. From comparison of the thermogram profiles obtained from samples analysed using perforated crucible lids (which allow self-pressurization up to the boiling point) and those using manually pierced crucible lids (i.e. an open system), it is possible to evaluate if an observed endotherm originates from a true boiling temperature for the test item. In the case of a true boiling temperature, in an open system, the endotherm start temperature may be greatly reduced, resulting in a much broader and/or shallower endotherm profile, since premature evaporation is not suppressed. With a pre-perforated (laser drilled) crucible lid in place, initial vaporization is suppressed and vapour is not generated in significant quantity until the exponential rise in pressure occurs when the boiling temperature is approached, forcing the vapor through the perforation. Determinations 1, 5 and 6 only have been used for quantification of the boiling temperature characteristics of the test item. Determination 2 indicated some evidence of premature evaporation. Determinations 3 and 4 indicated test item stability in air and/or inert atmosphere (nitrogen) essentially the same. The mean boiling temperature was determined to be 260.1 ± 1.0 °C (or 533.2 ± 1.0 K) at 100.4 to 101.4 kPa atmospheric pressure. There was no evidence of substance decomposition during the course of the test. The boiling point is considered to be 260.1 ± 1.0 °C (or 533.2 ± 1.0 K) at 100.4 to 101.4 kPa.

Conclusion: The substance boiling point is : 260°C (or 533K) at 101.325 kPa