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Boiling point

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Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study performed under GLP. All relevant validity criteria were met.
Qualifier:
according to
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
Deviations:
no
GLP compliance:
yes
Type of method:
differential scanning calorimetry
Boiling pt.:
> 125 °C
Atm. press.:
1 atm
Decomposition:
yes
Decomp. temp.:
>= 125 °C
Remarks on result:
other: Boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started.

Preliminary test

he TGA-curve of the test item indicated that from 175°C upwards the weight of the sample decreased significantly. At 217°C the sample weight had decreased by 25%. After the experiment, a yellow molten residue remained in the sample container (original colour: Pale Yellow). The change of the colour indicated reaction and/or decomposition of the test item.

 

Main study

- Experiment 1: During cooling, a glass transition between -50°C and -90°C was observed (results are archived in the raw data). During heating a glass transition between -40°C and -75°C was observed. The inflection point of the glass transition was -58.14°C. Additionally, an unknown endothermic peak between 25°C and 50°C was observed. An endothermic peak started from 125°C, which was due to reaction and/or decomposition of the test substance. After the experiment, a yellow molten residue remained in the sample container.

 

- Experiment 2: To investigate the unknown peak between 25°C and 50°C a repeated heating cycle was applied also to yield a duplicate glass transition temperature. During first cooling a glass transition between -50°C and -90°C was observed. With the first heating a glass transition between -40°C and -75°C was observed. The inflection point of the glass transition was -57.30°C. An unknown peak was observed between 25°C and 65°C. During second cooling a glass transition between -50°C and -90°C was observed. With the second heating a glass transition between -40°C and -75°C was observed. This temperature was not used in the calculation. No endothermic effect was observed between 25°C and 50°C. After the experiment, a yellow molten residue remained in the sample container.

Conclusions:
Reaction and/or decomposition of the test substance were observed ≥ 125°C (≥ 398 K). Boiling of the test substance was not observed below 125°C, the test substance boiling point is > 125°C at 1 atmosphere pressure.
Executive summary:

The boiling temperature was examined using EU Method A.2. and the Differential Scanning Calorimetry method. Reaction and/or decomposition of the test substance were observed during DSC experiments at temperatures ≥125°C (or ≥ 398 K) at 1 atmosphere pressure under a stream of nitrogen. Boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started. The boiling temperature of the substance has been determined to be > 125°C at 1 atmosphere pressure.

Endpoint:
boiling point
Data waiving:
study technically not feasible
Justification for data waiving:
other:
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
A study has been conducted to EU Method A.2 / OECD TG 103 – DSC method indicating that the substance boils above a decomposition temperature of 125°C under inert gas conditions. Further testing at reduced pressures is omitted on the following basis: 1. Adequate information is already available: i. on the substances physical state (liquid up to 125°C); ii. for Classification and Labelling Purposes and where reliable data is provided: on Flash Point, Auto-ignition temperature and Vapour Pressure. 2. In accordance with REACH Regulation (EC) No. 1907/2006 Annex VII, column 2 section 7.3 the study does not need to be conducted since the substance decomposes before boiling (e.g. autoxidation, rearrangement, degradation, decomposition etc). 3. In accordance with section 1.2 of REACH Regulation (EC) No. 1907/2006 Annex XI, further testing is omitted on the basis that the substance undergoes autoxidation/rearrangement at temperatures > 125 °C; with due regard OECD TG 103, paragraph 4 which states that the methods in the guideline are applicable to liquids provided they do not undergo chemical changes below the boiling point. Additional testing to derive a boiling point is not technically feasible; in that testing at reduced pressure would yield information only on boiling points of degradation products (not of the substance). Additional testing would not yield relevant further information for classification and labelling purposes.

References:
1. ECHA Guidance on Information Requirements and Chemical Safety Assessment (Chapter R.7a: Endpoint Specific Guidance, R.7.1.10.2, v4.1, December 2016)
2. REACH Regulation (EC) 1907/2006, Annex XI, section 1.2
3. CLP Regulation (EC) 1272/2008, Annex I, section 2.6.1
4. ECHA Guidance on Application on the CLP Criteria, (v4.1, June 2015)
5. OECD TG 103 (July 1995)

Description of key information

Bp: decomposition occurs ≥ 125 °C at 1 atm pressure, the boiling point > 125 °C at 1 atm pressure;  EU Method A.2, 2016

Key value for chemical safety assessment

Additional information

The boiling temperature was examined using EU Method A.2. and the Differential Scanning Calorimetry method. Reaction and/or decomposition of the test substance were observed during DSC experiments at temperatures ≥125°C (or ≥ 398 K) at 1 atmosphere pressure under a stream of nitrogen. Boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started. The boiling temperature of the substance has been determined to be > 125°C at 1 atmosphere pressure.

 

A study has been conducted to EU Method A.2 / OECD TG 103 – DSC method indicating that the substance boils above a decomposition temperature of 125°C under inert gas conditions. Further testing at reduced pressures is omitted on the following basis:

1. Adequate information is already available: i. on the substances physical state (liquid up to 125°C); ii. for Classification and Labelling Purposes and where reliable data is provided: on Flash Point (≥ 125°C), Auto-ignition temperature (355°C, 1 atm) and Vapour Pressure (1.2 Pa at 25°C).

2. In accordance with REACH Regulation (EC) No. 1907/2006 Annex VII, column 2 section 7.3 the study does not need to be conducted since the substance decomposes before boiling (e.g. autoxidation, rearrangement, degradation, decomposition etc).

3. In accordance with section 2 of REACH Regulation (EC) No. 1907/2006 Annex XI, further testing is omitted on the basis that the substance undergoes autoxidation/rearrangement at temperatures > 125 °C; with due regard OECD TG 103, paragraph 4 which states that the methods in the guideline are applicable to liquids provided they do not undergo chemical changes below the boiling point. Additional testing to derive a boiling point is not technically feasible; in that testing at reduced pressure would yield information only on boiling points of degradation products (not of the substance). Additional testing would not yield relevant further information for classification and labelling purposes.

 

References:

1. ECHA Guidance on Information Requirements and Chemical Safety Assessment (Chapter R.7a: Endpoint Specific Guidance, R.7.1.10.2, v4.1, December 2016)

2. REACH Regulation (EC) 1907/2006, Annex XI, section 2

3. CLP Regulation (EC) 1272/2008, Annex I, section 2.6.1

4. ECHA Guidance on Application on the CLP Criteria, (v4.1, June 2015)

5. OECD TG 103 (July 1995)