(2S)-6-fluoro-2-(oxiran-2-yl)chromane

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Remarks:

glass transition temperature

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07 March - 16 September 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Remarks:

glass transition temperature

Test material

Test material information

1

Reference substance name:

(2S)-6-fluoro-2-(oxiran-2-yl)chromane

EC Number:

930-889-9

Cas Number:

1219915-05-5

Molecular formula:

C11H11FO2

IUPAC Name:

(2S)-6-fluoro-2-(oxiran-2-yl)chromane

Test material form:

liquid

Details on test material:

Physical state: liquid
Appearence: light brown liquid

Specific details on test material used for the study:

- Batch n°: I16FB3013
- Analytical purity: 87.5%
- Expiration date: 07 June 2018
- Storage condition: at room temperature

Results and discussion

Melting / freezing point

Key result

Atm. press.:

1 013.25 hPa

Decomposition:

yes

Decomp. temp.:

> 175 °C

Remarks on result:

other: the glass transition temperature was determined to be -52.3°C

Remarks:

An orange molten residue remained after the preliminary and a dark yellow molten residue remained after the first main test, indicating reaction and/or decomposition.

Any other information on results incl. tables

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly at 225°C. At 290°C

the sample weight has decreased by 25%. After the experiment, a orange residue residue remained in the sample container (original colour: yellow). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

During cooling a glass transition (T_G) of the test item was observed between -50°C and -80°C. During heating a T_G was observed between -75°C and -25°C. The inflection point was -52.422°C. Starting at 175°C, the DSC curve showed an endothermic effect. The effect was most likely due to the start of reaction and/or decomposition, based on the results obtained by the preliminary test and the change of colour. After the experiment, a dark yellow molten residue remained in the sample container.

 Experiment 2 was performed to determine the duplicate inflection point of the T_G. The temperature program of the second experiment was stopped after the glass transition. The inflection point of the glass transition was -52.110°C. After the experiment, the residue remained in the sample container was unchanged.

The T_Gwas determined as the average glass transition obtained from Experiment 1 (-52.422°C) and Experiment 2 (-52.110°C).

Applicant's summary and conclusion

Conclusions:

The glass transition temperature of JNJ-42819543-AAA (T001596) was determined at -52.3°C (220.9K) by using DSC. No melting was observed.