Registration Dossier

Diss Factsheets

Physical & Chemical properties

Boiling point

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
01Mar2018 to 13Mar2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling Point)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
Deviations:
no
GLP compliance:
yes
Type of method:
differential scanning calorimetry
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Lot 20160912
- Purity: 99.2%
- Expiration date of the lot/batch: 1-August-2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at room temperature
- Stability under test conditions: test substance stable
Key result
Boiling pt.:
112.3 °C
Atm. press.:
1 006 hPa
Decomposition:
no

The DSC-curve obtained with Experiment 1 is shown in Figure 1. An endothermic peak between 50 °C and 150 °C was observed. The extrapolated onset temperature of the peak was 112.588 °C. The endothermic effect was most likely obtained due to boiling of the test substance. After the experiment it was observed that the test substance had evaporated from the sample container. A light brown deposit remained in the sample container.

A higher heating rate of 50 °C/minute was applied in Experiment 2 (see Figure 2) to investigate the endothermic peak. The extrapolated onset temperature of the endothermic peak in Experiment 2 was 111.673 °C. The endothermic peak had not shifted to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect.  After the experiment, it was observed that the test item had evaporated from the sample container. A light brown deposit remained in the sample container. Since a higher heating rate was applied, the extrapolated onset temperature of the boiling peak was not used for calculation of the boiling temperature. 

Experiment 3 was performed as a duplicate of Experiment 1, but without the cooling cycle (see Figure 3). Similar results as in Experiment 1 were obtained. The extrapolated onset of the boiling peak was 112.019 °C. After the experiment, it was observed that the test item might have been evaporated from the sample container. After the experiment, it was observed that the test item had evaporated from the sample container. A light brown deposit remained in the sample container.

The boiling temperature was determined as the mean boiling temperature of Experiment 1 (112.588 °C) and Experiment 3 (112.019 °C).

Conclusions:
The boiling point of MTDID 49220 was determined as 112.3 °C at 1006 hPa, as determined by EU Method A.2.
Executive summary:

The boiling point of MTDID 49220 was tested using differential scanning calorimetry (DSC) in three experiments. The boiling point was determined as 112.3 °C at 1006 hPa. The boiling temperature was determined as the mean evaporation temperature of two trials done under comparable conditions. The study was conducted in accordance with EU Method A.2 and was GLP compliant; therefore the study is considered reliable without restrictions.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Qualifier:
no guideline available
Version / remarks:
Summary of various published results. Details of methods were not obtained.
Principles of method if other than guideline:
Summary of various published results, assumed to have been obtained with various methods.
GLP compliance:
not specified
Boiling pt.:
>= 108 - <= 113 °C
Remarks on result:
other:
Remarks:
Summary of various published results.

Elsevier Reaxys Database Search Results for Boiling Point of MTDID 49220

Boiling Point [°C]   Pressure (Boiling Point) [Torr]  References
108 - 110    Vasilieva; Kleshcheva; Gromova; Rebrov; Filatova; Krut'ko; Timofeeva; Topchiev; Russian Chemical Bulletin; vol. 49; nb. 3; (2000); p. 431 - 437
109 - 111  721 Voronkov, M.G.; Kirpichenko, S.V.; Abrosimova, A.T.; Keiko, V.V.; Albanov, A.I.; J. Gen. Chem. USSR (Engl. Transl.); vol. 61; nb. 9.2; (1991); p. 2033 - 2039,1883 - 1888
111 - 113   Barluenga, J.; Najera, C.; Yus, M.; Journal of Heterocyclic Chemistry; vol. 17; (1980); p. 917 - 921
111 - 112   760 Duschek,C. et al.; Journal fuer Praktische Chemie (Leipzig); vol. 317; (1975); p. 491 - 502
112 - 113    Tabushi et al.; Nippon Kagaku Zasshi; vol. 90; (1969); p. 197,198,201
112    Partheil; von Broich; Chemische Berichte; vol. 30; (1897); p. 618; van Overbeke; Glacet; Bulletin de la Societe Chimique de France; (1962); p. 936; Dieck; Friedel; Journal of Organometallic Chemistry; vol. 12; (1968); p. 173,176, 178, 179
108 - 112  760 Hennion,G.F.; Ode,R.H.; Journal of Organic Chemistry; vol. 31; (1966); p. 1975 - 1977
Conclusions:
MTDID 49220 has published boiling points which range from 108 °C to 113 °C.
Executive summary:

A search of the Reaxys chemistry database (Elsevier Publishing) found published boiling points ranging from 108 °C to 113 °C for MTDID 49220. The atmospheric pressure was included for only a few results, but the boiling points are presumed to have been measured at, or near standard atmospheric pressure. The results are considered supporting information, as methodoligical information was not obtained, and their reliability is not assignable.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods
Qualifier:
according to guideline
Guideline:
other: ASTM D1120-94 “Standard Test Method for Boiling Point of Engine Coolants."
GLP compliance:
not specified
Type of method:
dynamic method
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Lot 20160912
- Purity: 99.2%
- Expiration date of the lot/batch: 1-August-2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Stability under test conditions: test substance stable at room temperature
Key result
Boiling pt.:
112.3 °C
Atm. press.:
1 013.25 hPa
Conclusions:
The boiling point of MTDID 49220 was found to be 112.3 °C at 1013.25 hPa, according to ASTM D 1120-94.
Executive summary:

The boiling point of MTDID 49220 was tested using the dynamic method according to ASTM D 1120 -94. The boiling point was determined as 112.3 °C at 1013.25 hPa. The study was conducted in accordance with a national standard method, and therefore it is considered reliable without restrictions.

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Qualifier:
no guideline available
Principles of method if other than guideline:
no information regarding method available
Key result
Boiling pt.:
111 °C
Atm. press.:
1 013.25 hPa
Conclusions:
A boiling point of 111 °C at 1013.25 hPa was reported for MTDID 49220 on a Safety Data Sheet.
Executive summary:

A boiling point of 111 °C at 1013.25 hPa was reported for MTDID 49220 on a Safety Data Sheet. No information was available regarding the method used to measure the boiling point and therefore the reliability of this result is not assignable.

Description of key information

The boiling point of MTDID 49220 was determined as 112.3 °C at 1006 hPa. The study was conducted in accordance with EU Method A.2 and was GLP compliant; therefore the study is considered reliable without restrictions.

Key value for chemical safety assessment

Additional information

In a supporting study, the boiling point of MTDID 49220 was tested using the dynamic method according to ASTM D 1120 -94, and determined as 112.3 °C at 1013.25 hPa. The study was conducted in accordance with a national standard method, and therefore it is considered reliable without restrictions. Boiling point values were found in two additional sources, but the reliability of these could not be determined, and they are not further considered.