3-(heptyloxy)propane-1,2-diol

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

31 March 2020 - 12 May 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

31 March 2020 - 12 May 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Melting / freezing pt.:

6.4 °C

Atm. press.:

>= 1 022 - <= 1 030 hPa

Decomposition:

no

TGA EXPERIMENT (PRELIMINARY TEST)

Decrease of weight from 225°C upwards: 25% at 272°C and 70% at 292°C.

After the experiment it was observed that the test item was evaporated from the sample container.

DSC EXPERIMENT 1

During cooling, two exothermic effect between -30°C and -60°C were found. The effect was obtained due to crystallization of the test item.

During heating two exothermic effects were observed between -50°C and 0°C followed by an endothermic effect observed between 0°C and 25°C. The exothermic effect was obtained by crystallisation. The endothermic effect was obtained by melting. The extrapolated onset temperature of the melting effect was 6.431°C. Between 200°C and 300°C an endothermic effect was observed. The extrapolated onset temperature of the second endothermic effect was 289.350°C. The endothermic effect was most likely obtained due to boiling of the test item. After the experiment it was observed that the test item had evaporated from the sample container.

DSC EXPERIMENT 2

In order to investigate the second endothermic effect, a higher heating rate of 50°C/minute was used. The extrapolated onset temperature was 289.730°C. The endothermic effect 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. Since a higher heating rate was used, the extrapolated onset temperature was not used in the calculation of the boiling point.

DSC EXPERIMENT 3

Experiment 3 was performed as a duplicate of Experiment 1. Similar results were obtained. The extrapolated onset of the melting effect was 6.369°C. The extrapolated onset of the boiling effect was 289.127°C. After the experiment it was observed that the test item had evaporated from the sample

DSC curves recorded during heating: see illustration below.

RESULT

Melting temperature: mean extrapolated onset temperature of Experiment 1 (6.431°C) and Experiment 3 (6.369°C).

Boiling temperature: the mean extrapolated onset temperature of DSC Experiment 1 (289.350°C) and DSC Experiment 3 (289.127°C).

 

Conclusions:

The melting temperature of the substance was determined to be 6.4°C.

Executive summary:

The melting and boiling temperature of the test item were determined in a GLP study using Differential Scanning Calorimetry. The experiments were in accordance with EC A.1, OECD 102 and OPPTS 830.7200 (melting temperature) and on EC A.2, OECD TG 103 and OPPTS 830.722 (boiling temperature).

Two endothermic effects appeared in the temperature range between -90°C and 400°C due to melting and boiling. The melting temperature of the substance was determined to be 6.4°C (mean extrapolated onset temperature of duplicate experiments). The boiling temperature of the substance (at 1026 ± 4 hPa) was determined to be 289.2°C (mean extrapolated onset temperature of duplicate experiments).

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

3-(heptyloxy)propane-1,2-diol

Cas Number:

10305-39-2

Molecular formula:

C10H22O3

IUPAC Name:

3-(heptyloxy)propane-1,2-diol

Test material form:

liquid

Details on test material:

Physical Description: Clear slightly yellow liquid
Storage Conditions: At room temperature protected from light
Stability at higher temperatures: Yes, maximum temperature: 90°C, maximum duration: 120 minutes

Results and discussion

Boiling point

Key result

Boiling pt.:

289.2 °C

Atm. press.:

>= 1 022 - <= 1 030 hPa

Decomposition:

no

Any other information on results incl. tables

see IUCLID 4.2 melting point

Applicant's summary and conclusion

Conclusions:

The boiling of the substance was determined to be 289.2°C (at 1026 ± 4 hPa).

Executive summary:

see IUCLID 4.2 melting point