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Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The study was conducted according to an internationally recognised method, but without detailed documentation, and with technical inaccuracy (distant extrapolation). The test substance is adequately identified. Therefore validation applies with restrictions.
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 104
Version / remarks:
23rd March 2006
GLP compliance:
no
Type of method:
dynamic method
Boiling pt.:
301.78 °C
Atm. press.:
101 325 Pa

 










































 Temperature [°C]



 Pressure [mbar]



 156



 10.1



 165


 14.8
 168

 16.9


 181 28.3
 190

 40.0


 198 53.4
 204 67.2
 213 90.1

 


 


 


 


 


 


 


 


 


 


 


 


 


Normal Boiling Point = 301.78°C.


 


Boiling temperature was confirmed by measurement with Siwoloboff Method (301°C at 979 mbar), but no experimental details are provided.

Executive summary:

The boiling point of the test substance was determined from the vapour pressure study, measured according to OECD104 guideline, dynamic (ebulliometer) method.


Eight measurements were recorded between 156 and 213°C. The coefficients of the non-linear Antoine's equation between VP and 1/T were calculated.


From this relationship, the extrapolated boiling point of the substance at normal atmospheric pressure was back calculated as 302°C.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Dates: 2 to 4 December 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to an internationally recognised method, with no deviation, and under GLP. The substance is adequately characterised, with isomers composition. Therefore full validation applies.
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Version / remarks:
July 27, 1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Version / remarks:
Regulation (EC) No 440/2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
signed on 15 Nov. 2018
Type of method:
differential scanning calorimetry
Key result
Boiling pt.:
303.8 °C
Atm. press.:
101.3 kPa
Decomposition:
no

Pre-study

Peaks assigned to the boiling of the substance was observed and measurement was stopped at 365°C.

The initial boiling point of the substance was observed at onset temperature of 302.9°C.

Main study - First Determination

Initial boiling point was observed at 302.3°C (onset temperature of the peak) and a mass loss over 80% was observed between the beginning and the end of the boiling peak.

The crucible was visually checked after the determination: By opening the crucible, no test item left in the crucible and no sign of decomposition was observed.

Atmospheric pressure: 98.5 kPa.

Main study - Second Determination

Initial boiling point was observed at 302.6°C (onset temperature of the peak) and a mass loss over 80% was observed between the beginning and the end of the boiling peak.

The crucible was visually checked after the determination: By opening the crucible, no test item left in the crucible and no sign of decomposition was observed.

Atmospheric pressure: 98.5 kPa.

The corrected values following Sidney-Young equation were determined to be 303.7°C at 101.3 kPa for the first determination and 304.0°C at 101.3 kPa for the second determination.

Executive summary:

The boiling point of the test substance was determined, under GLP, according to OECD 103/EU A2 guideline using DSC method.

Measurements were conducted under nitrogen atmosphere, in duplicate. Onset temperature were corrected to normal atmospheric pressure. Results were consistent, so the average value was retained.

The boiling point is 303.8°C under normal atmP (101.3 kPa).

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The study was conducted according to an internationally recognised method, but without detailed documentation, and with technical inaccuracy (distant extrapolation). The test substance is adequately identified. Therefore validation applies with restrictions.
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 104
Version / remarks:
23rd March 2006
GLP compliance:
no
Type of method:
dynamic method
Boiling pt.:
297.95 °C
Atm. press.:
101 325 Pa

 Temperature [°C]

 Pressure [mbar]

 157

 10.9

 170

 18.7
 179

 27.4

 180  28.4
 183

 31.7

 197  53.8
 209  83.5
 210  86.5

Normal Boiling Point = 297.95°C.

Boiling temperature was confirmed by measurement with Siwoloboff Method (296.6°C at 973 mbar), but no experimental details are provided.

Executive summary:

The boiling point of the test substance was determined from the vapour pressure study, measured according to OECD104 guideline, dynamic (ebulliometer) method.

Eight measurements were recorded between 157 and 210°C. The coefficients of the non-linear Riedel's and Antoine's equations between VP and 1/T were calculated.

From this relationship, the extrapolated boiling point of the substance at normal atmospheric pressure was back calculated as 298°C.

Description of key information

Experimental boiling point = 303.8°C (as corrected to normal atmP and under inert atmosphere).

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
303.8 °C

Additional information

A new, fully reliable, bp experimental study was conducted on the registered substance. Therefore it is considered as the key data.


It is consistent with a new experimental VP study on the same multi-constituent substance, which allows an extrapolated back calculation of the normal bp as 302°C.


Moreover, these results are also consistent with experimental data on the analogue and major constituent alpha-Santalol: from the VP study the derived extrapolated back calculated normal bp is 298°C.