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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
20 February 2017 to 02 March 2018
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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
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

Test material

Constituent 1
Chemical structure
Reference substance name:
(2R)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran
EC Number:
603-315-7
Cas Number:
129050-26-6
Molecular formula:
C11H11FO2
IUPAC Name:
(2R)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran
Test material form:
other: wax
Details on test material:
Physical state: wax form
Appearance: clear, viscous, wax
Specific details on test material used for the study:
- Batch n°: I16HB3199
- Analytical purity: 98.9%
- Expiration date: 2017-09-13 (retest date)
- Storage condition: at room temperature

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
43.8 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Decomp. temp.:
> 150 °C
Remarks on result:
other: A brown orange molten residue remained after the preliminary test, and a colourless molten residue remained after the 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 220°C. At 268°C the sample weight has decreased by 25%. After the experiment, a brown orange molten residue remained in the sample container (original colour: pale yellow). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

In order to determine the melting more precisely, the DSC curve with a heating rate of 20°C/min was obtained and showed an endothermic peak between 0°C and 75°C. The extrapolated onset temperature of the peak was 41.984°C. The effect was most likely obtained due to melting of the test item. From 150°C a second endothermic effect was observed. After the experiment, a yellow (darker then original) residue remained in the sample container. The effect was, therefore, considered due to reaction and/or decomposition.

To investigate the melting peak, the temperature program of the second experiment was stopped after the endothermic effect. The extrapolated onset temperature of the melting peak was 43.709°C. After the experiment, a colourless molten residue remained in the sample container.

The difference in the extrapolated onset of the melting peak between Experiment 1 and Experiment 2 was > 0.5°C. Therefore Experiment 3 was performed. The temperature program was identical to Experiment 2. The extrapolated onset of the melting peak was 43.799°C. After the experiment, a colourless molten residue remained in the sample container.

 

The melting temperature was determined as the average melting temperature obtained from Experiment 2 (43.709°C) and Experiment 3 (43.799°C). The first extrapolated onset temperature was not taken into account for the calculation of the melting temperature, as it deviated more than 0.5°C from the onset temperature of Experiment 2 and 3.

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-17337359-AAA (T001590) was determined at 43.8°C (316.9K) using DSC.