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Diss Factsheets

Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2009-11-16 to 2010-04-21
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP study
Reason / purpose for cross-reference:
reference to other study
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
Type of method:
method according to Siwoloboff
Key result
Boiling pt.:
> 145 °C
Atm. press.:
98.9 kPa
Decomposition:
no
Remarks on result:
other: The test substance boiled from about 145 °C on.

At about 145 °C the test substance started boiling and bubbles emerged rapidly from the lower open end of the capillary. Between 145 °C and 180 °C the test substance boiled but on momentary cooling the liquid did not rise in the capillary. At 180 °C the test substance boiled over.

Therefore no boiling temperature of the test substance could be determined. The test substance boiled from about 145 °C on.

Conclusions:
The test substance boiled from about 145 °C on.
Executive summary:

The boiling temperature was determined experimentally using the method according to Siwoloboffof (OECD and EC).

At about 145 °C the test substance started boiling and bubbles emerged rapidly from the lower open end of the capillary. Between 145 °C and 180 °C the test substance boiled but on momentary cooling the liquid did not rise in the capillary. At 180 °C the test substance boiled over. Therefore no boiling temperature could be determined. The test substance boiled from about 145 °C on.

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2010-04-21
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
QSAR prediction
Reason / purpose for cross-reference:
reference to other study
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
not applicable
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Deviations:
not applicable
Principles of method if other than guideline:
Atom/Fragment Contribution Method using the software MPBPWIN Version v1.43, provided by U.S. Environmental Protection Agency.
GLP compliance:
yes
Type of method:
other: Software MPBPWIN Version v1.43
Key result
Boiling pt.:
243.7 °C
Atm. press.:
1 atm
Conclusions:
The calculated boiling temperature of the main constituent (3-Hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde) of the test substance is 243.7 °C.
Executive summary:

The calculated boiling temperature of the main constituent (3-Hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde) is 243.7 °C.

Description of key information

Boiling temperature (OECD 103, EU Method A.2.): The test substance boiled about 145 °C

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
145 °C

Additional information

The boiling temperature was determined experimentally using the method according to Siwoloboffof (OECD and EC).

At about 145 °C the test substance started boiling and bubbles emerged rapidly from the lower open end of the capillary. Between 145 °C and 180 °C the test substance boiled but on momentary cooling the liquid did not rise in the capillary. At 180 °C the test substance boiled over. Therefore no boiling temperature could be determined. The test substance boiled from about 145 °C on.

A supporting study was performed with the main constituent (3-Hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde) of the test substance. The calculated boiling temperature of the main constituent was determined to be 243.7 °C.