1-(6-FLUORO-3,4-DIHYDRO-2H-CHROMEN-2-YL)ETHANONE

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 June 2016 - 29 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-one

Cas Number:

620176-90-1

Molecular formula:

C11H11FO2

IUPAC Name:

1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-one

Test material form:

liquid

Details on test material:

- Name of test material (as cited in study reports): JNJ-7928531-AAA (T001481)
- Physical state: liquid
- Appearance: Colourless, light yellow to brown liquid

Specific details on test material used for the study:

- Batch n°: M16AB0419
- Expiration date: 23 September 2016
- Purity: 102.5% (based on GC assay)
- Storage condition of test material: at room temperature

Results and discussion

Boiling point

Key result

Atm. press.:

1 013.25 hPa

Decomposition:

yes

Decomp. temp.:

> 175 °C

Remarks on result:

other: Boiling of the test item was not observed below the temperature of decomposition and/or reaction, therefore the test item has no boiling temperature.

Any other information on results incl. tables

In Experiment 1, during cooling a glass transition was observed between -85°C and -60°C. Whereas during heating a glass transition between -75°C and -50°C was observed. The inflection point of the glass transition was -65.417°C. An endothermic peak between 200°C and 300°C was observed. The extrapolated onset temperature of the peak was 276.807°C. The effect was most likely obtained due to boiling of the test item. After the experiment it was observed that the test item was evaporated from the sample container.

To investigate the boiling peak a closed sample container was applied in the Experiment 2. The inflection point of the glass transition was -65.586°C. An exothermic peak between 100°C and 200°C and an endothermic peak between 250°C and 350°C were observed. These effects were most likely obtained due to reaction and/or decomposition of the test item. After the experiment, a brown deposit remained in the sample container.

Experiment 3 was performed to investigate reaction and/or decomposition of the test item. Experiment 3 was therefore stopped at 280°C. At approximately 110°C a small signal was observed: it was most likely an artefact. From 175°C the baseline deviated in the endothermic direction. After the experiment, a light yellow residue remained in the sample container. It demonstrated that reaction and/or decomposition of the test item probably took place over the temperature range.

Boiling of the test item was not observed below the temperature of decomposition and/or reaction (> 175°C). Based on this, the test item has no boiling temperature.

Applicant's summary and conclusion

Conclusions:

Boiling of the test item was not observed below the temperature at which reaction and/or decomposition started. Based on this, the boiling temperature of the test item could not be determined by this method.