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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:
6 - 19 Dec 2017
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: 002602456
- Physical state: colorless, clear liquid
- Expiration date of the lot/batch: 07 June 2020

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at room temperature
- Stability under test conditions: test substance stable in water, but extremely volatile
Key result
Boiling pt.:
53.5 °C
Atm. press.:
1 002 hPa
Decomposition:
no

The DSC-curve obtained with Experiment 1 is shown in Figure 1. During cooling, no effects were observed. During heating, an endothermic peak between -25 °C and 100 °C was observed. The extrapolated onset temperature of the peak was 50.482 °C. The 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 higher heating rate of 50 °C/minute was applied in Experiment 2 to investigate the endothermic peak. The extrapolated onset temperature of the endothermic peak in Experiment 2 was 56.764 °C. After the experiment, it was observed that the test item had evaporated from the sample container. Experiment 3 was performed as a duplicate of Experiment 1 but without the cooling cycle. The result is similar to what was found in Experiment 1. The extrapolated onset of the boiling peak was 53.776 °C. After the experiment, it was observed that the test item had evaporated from the sample container. The difference in the extrapolated onset between Experiment 1 and Experiment 3 was > 1 °C; therefore, Experiment 4 was performed as a duplicate of Experiment 3. The extrapolated onset of the boiling peak was 53.171 °C. The boiling temperature was determined as the average obtained from Experiment 3 (53.776 °C) and Experiment 4 (53.171 °C).

Conclusions:
The boiling point of MTDID 22327 was determined as 53.5 °C at 1002 hPa as determined by EU Method A.2.
Executive summary:

The boiling point of MTDID 22327 was tested using differential scanning calorimetry (DSC) in four experiments. 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
Study period:
19 July 2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to guideline
Guideline:
other: ASTM D1120-94 “Standard Test Method for Boiling Point of Engine Coolants"
Deviations:
no
GLP compliance:
no
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: ZF-0002-1884-0 Batch ID 2736469
Key result
Boiling pt.:
55.2 °C
Atm. press.:
760 mm Hg
Decomposition:
no

 Temp (°C)  Vapor Pressure (mm Hg)
 27.9 296.9 
 36.8 395.9 
 42.7 494.0 
 47.6 595.2 
 53.8 736.3 

ln(Pvap)= -3479.493243/(T (°C) + 273.15) + 17.231635

R2=0.997315

Conclusions:
The boiling point of MTDID 22327 is 55.2 °C at 760 mm Hg.
Executive summary:

A boiling point of 55.2 °C at 760 mm Hg for MTDID 22327 was extrapolated from data measured for the compound using the dynamic method. Vapor pressure and temperature were recorded at a variety of equilibrium points from 27.9 °C to 53.8 °C. The study was conducted following method ASTM D1120-94 but was not conducted in accord with GLP guidelines; therefore, the study is considered reliable with restrictions.

Endpoint:
boiling point
Type of information:
not specified
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Qualifier:
no guideline followed
GLP compliance:
no
Key result
Boiling pt.:
>= 50 - <= 60 °C
Conclusions:
A boiling point range of 50-60 °C was reported for MTDID 22327.
Executive summary:

A boiling point range of 50-60 °C was reported for MTDID 22327. Only the result was reported on the SDS and no information about the pressure or method used were provided; therefore the reliability of the data is not assignable.

Endpoint:
boiling point
Type of information:
not specified
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods with acceptable restrictions
Remarks:
The boiling point was obtained using an internal method which is similar to ASTM D1120-65 - Standard Test Method for Boiling Point of Engine Coolants. Documentation of the experimental measurement is not available.
Qualifier:
equivalent or similar to guideline
Guideline:
other: ASTM D1120-65
Version / remarks:
The result was obtained using an internal method, which cites ASTM D1120-65.
GLP compliance:
not specified
Type of method:
ebulliometer
Specific details on test material used for the study:
Batch Identifier: 2736469
Expiry Date: 01-Mar-2020
Boiling pt.:
52.3 °C
Atm. press.:
760 mm Hg
Conclusions:
MTDID 22327 has a boiling point of 52.3°C at 760 mm Hg.
Executive summary:

MTDID 22327 has a boiling point of 52.3°C at 760 mm Hg. The boiling point cited an internal method, which is similar to ATSM D1120-65. The boiling point is measured at a monitored barometric pressure and corrected to an atmospheric pressure of 760 mm Hg. The result is considered reliable with restrictions, and suitable for Risk Assessment, Classification and Labeling.

Description of key information

The boiling point of MTDID 22327 was determined to be 53.5 °C at 1002 hPa as determined by EU Method A.2.

Key value for chemical safety assessment

Additional information

In the key study, the boiling point of MTDID 22327 was tested using differential scanning calorimetry (DSC) in four experiments. 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. In a supporting study, a boiling point of 52.3 °C at 760 mm Hg was reported. The study report cited an internal method which is similar to ATSM D1120-65. The boiling point was measured at a monitored barometric pressure and corrected to an atmospheric pressure of 760 mm Hg. The result is considered reliable with restrictions. An additional supporting study reported a boiling point of 55.2 °C at 760 mm Hg. The result was extrapolated from data measured for the compound using the dynamic method. Vapor pressure and temperature were recorded at a variety of equilibrium points from 27.9 °C to 53.8 °C. The study was conducted following method ASTM D1120-94 but was not conducted in accord with GLP guidelines; therefore, the study is considered reliable with restrictions. A third supporting study reported a boiling point range of 50 - 60 °C for MTDID 22327. Only the result was reported on an SDS and no information about the pressure or method used were provided; therefore the reliability of the data is not assignable.