Reaction mass of (3R)-3-[(1R)-4-methyl-3-cyclohexen-1-yl]butanal and (3S)-3-[(1R)-4-methyl-3-cyclohexen-1-yl]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:

01 September - 07 December 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Study conducted in accordance with international guidelines and in accordance with 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)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature
- Stability under test conditions: Assumed stable.
- Solubility and stability of the test substance in the solvent/vehicle: N/A
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A

Key result

Boiling pt.:

>= 234.2 - <= 242.6 °C

Atm. press.:

>= 1 024 - <= 1 026 hPa

Preliminary Test

 

The TGA curve showed that from 150 ºC upwards the weight of the sample decreased significantly. After the experiment it was observed that the test substance had evaporated from the sample container.

 

Main Test

 

Exp.1 - During heating, an endothermic peak between 150°C and 275 °C was observed. The extrapolated onset temperature of the peak was 234.17 °C. The effect was most likely obtained due to boiling of the test item. After the experiment it was observed that the test item evaporated from the sample container.

 

Exp. 2 - The extrapolated onset temperature of the boiling peak was 321.39 °C. As can be seen the endothermic peak shifted to higher temperatures. It demonstrated that boiling of the test item was the reason for the endothermic effect. After the experiment it was observed that the test item evaporated from the sample container.

 

Exp. 3 - The extrapolated onset of the boiling peak was 242.57°C. After the experiment it was observed that the test item was evaporated from the sample container.

 

Exp. 4 - Similar results as with Experiment 3 were obtained. The extrapolated onset of the boiling peak was 242.27°C. After the experiment it was observed that the test item evaporated from the sample container.

 

Since the test item is a mixture, a range was given for the boiling temperature obtained from Experiment 1 (234.17 °C), Experiment 3 (242.57 °C) and Experiment 4 (242.27 °C).

Conclusions:

The boiling temperature of the test substance was determined at 234.2 – 242.6 °C (507.3 – 515.7 K) by using DSC at atmospheric pressure (1025 hPa).

Executive summary:

The boiling temperature was determined using EU Method A.2 and Differential Scanning Calorimetry. The boiling temperature of the test substance was determined at 234.2 – 242.6 °C (507.3 – 515.7 K) at atmospheric pressure (1025 hPa).

Description of key information

BP: 234.0 - 242.6 ºC at 1025 hPa, EU Method A.2 - Differential Scanning Calorimetry method, Anon, 2017.

Additional information

The boiling temperature was determined using EU Method A.2 and Differential Scanning Calorimetry. The boiling temperature of the test substance was determined at 234.2 – 242.6 °C (507.3 – 515.7 K) at atmospheric pressure (1025 hPa).