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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
07 March - 20 June 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 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:
(+)-(S,R)-6-fluoro-3,4-dihydro-2-(2-oxiranyl)-2H-1-benzopyran
EC Number:
606-374-7
Cas Number:
197706-51-7
Molecular formula:
C11H11FO2
IUPAC Name:
(+)-(S,R)-6-fluoro-3,4-dihydro-2-(2-oxiranyl)-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°: I16DB1993
- Analytical purity: 88.4% (technical document DS-TEC-128833)
- Expiration date: 03 October 2017 (retest date)
- Storage condition: at room temperature

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
54.5 °C
Atm. press.:
1 020 hPa
Decomposition:
no

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 283°C. At 291°C the sample weight has decreased by 70%. After the experiment, a colorless residue remained in the sample container (original colour: white). 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 25°C and 75°C. The extrapolated onset point was 54.174°C. The effect was most likely obtained due to melting of the test item. After the experiment it was observed that the test item was evaporated from the sample container.

Similar results were obtained in a further experiment. The extrapolated onset of the melting peak was 54.552°C. The extrapolated onset of the evaporation peak was 285.792°C. After the experiment it was observed that the test item was evaporated from the sample container.

To investigate the endothermic peak between 25°C and 75°C, the temperature program of experiment 3 was stopped after the endothermic effect. The extrapolated onset temperature of the melting peak was 54.895°C. After the experiment, a colorless molten residue remained in the sample container. The observation demonstrated that the endothermic effect was due to melting of the test item.

The melting temperature of T001597 was determined as the average melting temperature obtained from Experiment 1, Experiment 2 and Experiment 3 and equals 54.5°C (327.7K).

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-17337268-AAA (T001597) was determined at 54.5°C (327.7 K) by using DSC. The atmospheric pressure was 1020 ± 3 hPa.