Reaction mass of ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate and ethyl 2,6,6-trimethylcyclohexa-2,4-diene-1-carboxylate and ethyl 6,6-dimethyl-2-methylenecyclohex-3-enecarboxylate

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 September 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

2008

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Date of inspection: 15-16 March 2016; Signed on: 7 July 2016

Type of method:

method according to Siwoloboff

Key result

Boiling pt.:

233 °C

Atm. press.:

101.325 kPa

Remarks on result:

other: Corrected for atmospheric pressure

Accuracy checking

The accuracy of the instrument was checked by determining the melting point of a certified sample of benzoic acid (certified melting point: 122.5 °C ±0.3 °C).

The results were:

First determination: 122.6 °C

Second determination: 122.5 °C.

 

Boiling point determination

First determination: observed boiling point: 230.5 °C

Second determination: observed boiling point: 231.4 °C.

 

Correction to normalized pressure

The atmospheric pressure at the time of the experiment was 96.41 kPa (Meteo Suisse). A correction of the temperature to normalised pressure (101.325 kPa) was made. The determination of this correction factor was made using the Sidney Young equation, as recommended in OECD guideline 103: Tn =T+(f_T- Δp)

Where: Δp = 101.325 kPa - p

p = pressure in kPa; the pressure was obtained from the Swiss meteorological service for the time of the experiment;

f_T= rate of change of boiling temperature with pressure in K/kPa, here a value of 0.42 K/kPa, (linear interpolation of the values for 498.15 K and 523.15 K as published in the OECD guideline 103) was used.

T = temperature in K

T_n= normal boiling point

 

With this correction made, it can be concluded that the standard boiling point of Ethyl Safranate is (values rounded off): 506 K (233°C)

Conclusions:

The boiling point of test item was measured according to OECD Guideline 103 (Siwoloboff principle), EU Method A.2 and OPPTS 830.7220. The boiling point of test item is 506 K (233°C).

Executive summary:

A GLP study was conducted to determine the Boiling point of test substance by Siwoloboff principle, using an electronically controlled heating device, according to OECD Guideline 103, EU Method A.2 and OPPTS 830.7220.

 

Under the test conditions, the Boiling point of test substance was determined to be 233 °C.

Description of key information

Boiling point of test item was determing to be 506 K (233°C) using the Siwoloboff method.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

233 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD method and under GLP, is available. It is considered as a key study.