Reaction mass of 1-[rac-(1R,6S)-2,2,6-trimethylcyclohexyl]pentan-3-ol isomer 1 and 1-[rac-(1S,6S)-2,2,6-trimethylcyclohexyl]pentan-3-ol

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2018-02-09 to 2018-03-01

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Deviations:

no

GLP compliance:

no

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

276.8 °C

Atm. press.:

1 013.25 hPa

Between approx. 190 – 290 °C a second endothermic effect (boiling) could be detected. No further thermal effects were observed up to the test end temperature of 500 °C.

No.	Sample weight / mg	Onset of Effect / °C	Range of effect / °C	Weight loss / mg	Atmospheric pressure / hPa
PN14656	10.41	-51.97 276.13	-55 to -40 (endo) 190 – 290 (endo)	10.30	1002.1
PN14662	8.35	-54.45 276.66	-60 to -40 (endo) 190 – 290 (endo)	8.83	1002.3

During the cooling phase, no thermal effects were observed, which can be assigned to the freezing of the test item. During the heating phase a small endothermic effect was observed in the temperature range of -60to -40 °C, which can be assigned to the melting of the test item.

The test item showed a second endothermic signal in the temperature range of approx. 190 – 290 °C that can be assigned to the boiling of the test item.

For the correction of the boiling temperature to standard pressure the test item was assigned to chemical group 8 (e.g. Alcohol). According to appendix 8.2 a correction value φ = 6.55 was used for the temperature of 270 – 280 °C.

The lowest measured onset temperatureis corrected to the standard pressure to be 276.53 °C and the highest onset temperatureto be 277.05 °C. As the corrected onset temperatures in both tests deviate less than 0.5 K from their mean value of 276.79 °C, the test item has a boiling pointof 276.8 °C.

No further thermal effects were observed up to the maximum test temperature of 500 °C.

Conclusions:

The boiling point of the test item was determined with differential scanning calorimetry to be 276.8 °C at atmospheric pressure.

Executive summary:

The boiling point of the test item was determined with differential scanning calometry (DSC) according to OECD 103, EU A.2 and EPA OPPTS 830.7220. The test item was weighed into an aluminum crucible under an inert atmosphere. Two tests with about 8 – 10 mg of the test item were performed. As reference crucible, an empty aluminum crucible was used. At ambient conditions, the test item is a liquid. Therefore, the crucibles were cooled down from ambient temperature to -100 °C with a constant cooling rate of 0.25 K/min under an inert atmosphere. After a waiting period of 30 min at -100 °C, the temperature was increased up to 500 °C at a constant heating rate of 10 K/min. During the cooling phase, no thermal effects were observed, which can be assigned to the freezing of the test item. During the heating phase a small endothermic effect was observed in the temperature range of -60 to -40 °C, which can be assigned to the melting of the test item. The test item showed a second endothermic signal in the temperature range of approx. 190 – 290 °C that can be assigned to the boiling of the test item. The lowest measured onset temperature is corrected to the standard pressure to be 276.53 °C and the highest onset temperature to be 277.05 °C. As the corrected onset temperatures in both tests deviate less than 0.5 K from their mean value of 276.79 °C, the test item has a boiling point of 276.8 °C. No further thermal effects were observed up to the maximum test temperature of 500 °C.

Description of key information

The boiling point of the test item was determined with differential scanning calorimetry to be 276.8 °C at atmospheric pressure.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

276.8 °C

Additional information

The boiling point of the test item was determined with differential scanning calometry (DSC) according to OECD 103, EU A.2 and EPA OPPTS 830.7220. The test item was weighed into an aluminum crucible under an inert atmosphere. Two tests with about 8 – 10 mg of the test item were performed. As reference crucible, an empty aluminum crucible was used. At ambient conditions, the test item is a liquid. Therefore, the crucibles were cooled down from ambient temperature to -100 °C with a constant cooling rate of 0.25 K/min under an inert atmosphere. After a waiting period of 30 min at -100 °C, the temperature was increased up to 500 °C at a constant heating rate of 10 K/min. During the cooling phase, no thermal effects were observed, which can be assigned to the freezing of the test item. During the heating phase a small endothermic effect was observed in the temperature range of -60 to -40 °C, which can be assigned to the melting of the test item. The test item showed a second endothermic signal in the temperature range of approx. 190 – 290 °C that can be assigned to the boiling of the test item. The lowest measured onset temperature is corrected to the standard pressure to be 276.53 °C and the highest onset temperature to be 277.05 °C. As the corrected onset temperatures in both tests deviate less than 0.5 K from their mean value of 276.79 °C, the test item has a boiling point of 276.8 °C. No further thermal effects were observed up to the maximum test temperature of 500 °C.