Reaction product of mixed triesters of heptanoic acid (n-C7), nonanoic acid (n-C9) and trimethylolpropane (i-C7)

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

28 October 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

not specified

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Decomposition:

yes

Decomp. temp.:

> 300 - < 400 °C

Remarks on result:

other: No boiling point due to decomposition of the test substance

Experiments:

First experiment (25°C - 400°C): The curve showed no endothermic effect that can be ascribed to boiling. Only some small effects were observed that probably are combinations of endothermic effects which are possibly caused by evaporation of small amounts of test substance (possibly volatile impurities) and small exothermic effects which are probably caused by reaction or decomposition of the test substance. After the experiment the sample had a slightly yellow colour (the test substance was originally colourless). The sample had lost 8% of its mass during the experiment.

Second experiment (25°C - 200°C): No endothermic effect that can be ascribed to boiling was observed. Possibly a very small endothermic effect started at about 117°C. This effect may be caused by evaporation of a small amount of volatile impurities. Above about 175°C the effect changed to slightly exothermic. The exothermic effect may be caused by reaction or decomposition. However, the appearance of the sample had not changed during the experiment. No significant mass change was observed.

Third experiment (25°C - 300°C): No endothermic effect that can be ascribed to boiling was observed. Possibly a very small endothermic effect started at about 118°C. This effect may be caused by evaporation of a smallamount ofvolatile impurities. Above about 176°C this effect changed to a slightly exothermic effect. The small exothermic effect may be caused by reaction or decomposition. The appearance of the sample had not changed during the experiment. The sample had lost 1% ofits mass.

Fourth experiment (25°C - 400°C): The characteristics of the recorded curve are equal to those of the previously measured curves. After the experiment the sample had a slightly yellow colour. The sample had lost 11 % of its mass during the experiment.

 

Conclusion: Boiling of the test substance was not observed. Only some small heat effects were observed, which probably indicate a combination of small endothermic (above about 117°C, 390 K; possibly caused by evaporation of small amounts of volatile impurities) and exothermic (aboveabout 175°C, 448 K; possibly caused by reactionor decomposition of the test substance) effects. Visual indication for reaction or decomposition, i.e. change of the colour of the test substance, was observed on heating the test substance up to 400°C (673 K), but was not observed on heating up to 300°C (573 K).

Conclusions:

Boiling of the test substance was not observed.

Executive summary:

Guidelines: The study procedure used for the determination of the boiling temperature of HATCOL 3331 was based on the following guidelines: European Economic Community (EEC), EEC-Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.2 "Boiling temperature", EEC Publication No. L383, December 1992. Organization for Economic Co-operation and Development (OECD), OECD guidelines for testing of Chemicals, guideline no. 103: "Boiling point", July 27, 1995.

Experiments: Both the test substance and an inert reference were heated in a differential scanning calorimeter (DSC). The difference between the heal flow to the sample and the heat flow to the reference was recorded. Four experiments were performed. The results of all experiments were combined for the conclusion.

Conclusion: Boiling of the test substance was not observed. Only some small heat effects were observed, which probably indicate a combination of small endothermic (above about 117°C, 390 K; possibly caused byevaporation of small amounts of volatile impurities) and exothermic (above about 175°C, 448 K; possibly caused by reaction or decomposition of the test substance) effects. Visual indication for reaction or decomposition, i.e. change of the colour of the test substance, was observed on heating the test substance up to 400°C (673 K), but was not observed on heating up to 300°C (573 K).

Reference 2

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01 November 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

not specified

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Atm. press.:

101.325 kPa

Decomposition:

yes

Decomp. temp.:

> 175 °C

Remarks on result:

other: Boilng of the test substance was not observed as reaction or decompositon of the test substance was observed.

Experiments:

First experiment (25°C - 395°C): The curve showed an exothermic effect at temperatures above about 180°C. A larger exothermic effect was observed above 360°C. The exothermic effects are probably caused by reaction or decomposition of the test substance. After the experiment the sample had a light yellow colour (the test substance was originally colourless). The change of the colour also indicates that the sample had reacted or decomposed. The sample had lost 8% of its mass.

Second experiment (25°C - 300°C): No endothermic effect that can be ascribed to boiling was observed. Above about 177°C an exothermic effect was observed, which Is probably caused by reaction or decomposition. However, the visual appearance of the test substance had not changed during the experiment. The sample had lost 1 % of its mass.

Third experiment (25°C - 395°C): No endothermic effect that can be ascribed to boiling was observed. Above about 170°C an exothermic effect was observed. A larger exothermic effect was observed above about 360°C. The exothermic effects are probably caused by reaction or decomposition. After the experiment the sample had a light yellow colour (the test substance was originally colourless). The change of the colour also indicates that the sample had reacted or decomposed. The sample had lost 6% of its mass.

Conclusions:

Boiling of the test substance was not observed. Reaction or decomposition of the test substance was observed above 360°C (633 K). There is some indication that reaction or decomposition started already at approximately 175°C (448 K).

Executive summary:

The study procedure used for the determination of the boiling temperature of HATCOL 3344 was based on the following guidelines:

European Economic Community (EEC), EEC-Directive 92169 EEC, Part A, Methods for the determination of physico-chemical properties, A.2 "Boiling temperature", EEC Publication No. L3B3, December 1992.

Organization for Economic Co-operation and Development (OECD), OECD guidelines fortesting of Chemicals, guideline no.103: “Boiling point”, July 27,1995.

Experiments:

Both the test substance and an inert reference were heated in a differential scanning calorimeter (DSC). The difference between the heat flow to the sample and the heat flow to the reference was recorded. Three experiments were performed. The results of all experiments were combined for the conclusion.

Conclusion:

Boiling of the test substance was not observed. Reaction or decomposition of the test substance was observed above 360°C (633 K). There is some indication that reaction or decomposition started already at approximately 175°C (448 K).

Reference 3

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

31 October 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with OECD & EU test guideline in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

not specified

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Decomposition:

yes

Decomp. temp.:

> 375 - < 400 °C

Remarks on result:

other: Atm. pressure not specified in the study report. Boiling pt of the test substance was not observed.

Experiments:

First experiment (25°C - 232°C): The curve showed an exothermic effect at temperatures above about 180°C. This effect is possibly caused by reaction or decomposition of the test substance. However, after the experiment the visual appearance of the sample was unchanged (the test substance was originally colourless). No significant mass loss was observed.

Second experiment (25°C - 400°C): No endothermic effect that can be ascribed to boiling was observed. Possibly a very small endothermic effect started at about 125°C. This effect may be caused by evaporation of a small amount of volatile impurities. Above about 182°C the effect changed to slightly exothermic. The exothermic effect may be caused by reaction or decomposition. Above 355°C a larger exothermic effect was observed. This effect is probably caused by reaction or decomposition of the test substance. After the experiment the sample had a light yellow colour (original: colourless), which also indicates that the sample had reacted or decomposed. The sample had lost 8% of its mass.

Third experiment (25°C - 375°C): No endothermic effect that can be ascribed to boiling was observed. Possibly a very small endothermic effect started at about 125°C. This effect may be caused by evaporation of a small amount of volatile impurities. Above about 185°C the effect changed to slightly exothermic. The exothermic effect may be caused by reaction or decomposition. Above 350°C a larger exothermic effect was observed. This effect is probably caused by reaction or decomposition ofthe test substance. However, contrary to the observation after the second experiment, now the appearance of the sample had not changed. The sample had lost 4% of its mass.

Conclusions:

Boilng of the test substance was not observed.

Executive summary:

Guidelines:The study procedure used for the determination of the boiling temperature of HATCOL 5236 was based on the following guidelines: European Economic Community (EEC), EEC-Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.2 "Boiling temperature", EEC Publication No. L383, December 1992. Organization for Economic Co-operation and Development (OECD), OECD guidelines for testing of Chemicals, guideline no. 103: "Boiling point, July 27, 1995.

 

Experiments: Both the test substance and an inert reference were heated in a differential scanning calorimeter (DSC). The difference between the heat flow to the sample and the heat flow to the reference was recorded. Three experiments were performed. The results of all experiments were combined for the conclusion.

 

Conclusion: Boiling of the test substance was not observed. Only some small heat effects were observed, which probably indicate a combination of small endothermic (above about 125°C. 398 K; possibly caused by evaporation of small amounts of volatile impurities) and exothermic (above about 180°C, 453 K; possibly caused by reaction or decomposition of the test substance) effects. A larger exothermic effect was observed above about 350°C - 355°C (623 K - 628 K). Visual indication for reaction or decomposition, i.e. change of the colour of the test substance was observed on heating the test substance up to 400°C (673 K), but was not observed on heating up to 375°C (648 K).

Reference 4

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 July 2010- 30 July 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: This study has been performed according to OECD and EC guidelines and according to GLP principles.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Key result

Boiling pt.:

417 °C

Atm. press.:

ca. 1 017 hPa

Decomposition:

yes

Results      

Preliminary test

From 375°C upwards the weight of the sample decreased significantly. At 428°C the sample weight had decreased by 25%.

 

After the experiment a small brown residue remained in the sample container.

 

Main study                

During cooling as well as during heating, no effects were observed which were caused by crystallisation and/or melting. Between 350°C and 475°C an endothermic peak was observed which was due to boiling of the test substance. The extrapolated onset was determined to be 417.15°C.

 

During the second experiment the endothermic boiling peak was observed with an extrapolated onset of 417.44°C.

 

Additionally, the test substance was stored overnight in a -20°C freezer in order to determine if crystallization occurs. After storage the test substance had not been crystallized. From this it was concluded that the melting temperature is < -20°C (253K).

Conclusions:

The boiling temperature of Decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane was determined using DSC. The boiling temperature of the test substance is 417 °C. The atmospheric pressure was 1017 ± 2 hPa.

Description of key information

Key value determined by experiment in accordance with OECD guideline 103 and EU test standard A2.

Boiling point could not be determined due to decomposition of the test substance.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

417 °C

Additional information

HATCOL 3331

Both the test substance and an inert reference were heated in a differential scanning calorimeter (DSC). The difference between the heal flow to the sample and the heat flow to the reference was recorded. Four experiments were performed. The results of all experiments were combined for the conclusion.

Conclusion: Boiling of the test substance was not observed. Only some small heat effects were observed, which probably indicate a combination of small endothermic (above about 117°C, 390 K; possibly caused by evaporation of small amounts of volatile impurities) and exothermic (above about 175°C, 448 K; possibly caused by reaction or decomposition of the test substance) effects. Visual indication for reaction or decomposition, i.e. change of the colour of the test substance, was observed on heating the test substance up to 400°C (673 K), but was not observed on heating up to 300°C (573 K).

 

HATCOL 3344

Both the test substance and an inert reference were heated in a differential scanning calorimeter (DSC). The difference between the heat flow to the sample and the heat flow to the reference was recorded. Three experiments were performed. The results of all experiments were combined for the conclusion.

Conclusion: Boiling of the test substance was not observed. Reaction or decomposition of the test substance was observed above 360°C (633 K). There is some indication that reaction or decomposition started already at approximately 175°C (448 K).

 

HATCOL 5236 

Both the test substance and an inert reference were heated in a differential scanning calorimeter (DSC). The difference between the heat flow to the sample and the heat flow to the reference was recorded. Three experiments were performed. The results of all experiments were combined for the conclusion.  

Conclusion: Boiling of the test substance was not observed. Only some small heat effects were observed, which probably indicate a combination of small endothermic (above about 125°C. 398 K; possibly caused by evaporation of small amounts of volatile impurities) and exothermic (above about 180°C, 453 K; possibly caused by reaction or decomposition of the test substance) effects. A larger exothermic effect was observed above about 350°C - 355°C (623 K - 628 K). Visual indication for reaction or decomposition, i.e. change of the colour of the test substance was observed on heating the test substance up to 400°C (673 K), but was not observed on heating up to 375°C (648 K).

HATCOL 1510

The boiling temperature of Decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane was determined using DSC. The boiling temperature of the test substance is 417 °C. The atmospheric pressure was 1017 ± 2 hPa.