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Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
29 June 2017 - 14 September 2017
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 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:
2-chlorophenyl cyclopentyl ketone
EC Number:
229-802-0
EC Name:
2-chlorophenyl cyclopentyl ketone
Cas Number:
6740-85-8
Molecular formula:
C12H13ClO
IUPAC Name:
2-chlorophenyl cyclopentyl ketone
Test material form:
liquid
Details on test material:
- Name of test material (as cited in study reports): JNJ-54582034-AAA (T003642)
- Physical state: liquid
- Appearance: yellow liquid
Specific details on test material used for the study:
- Batch n°: I16KB4361
- Analytical purity: 98.4% (HPLC assay)
- Test item storage: In refrigerator (2-8°C), container flushed with argon
- Stable under storage conditions until: 19 Sep 2017 (retest date)

Results and discussion

Melting / freezing point
Melting / freezing pt.:
< -80 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Remarks:
After the experiment, a dark yellow residue remained in the sample container (original colour: yellow). The change of the colour indicated reaction and/or decomposition of the test item.
Decomp. temp.:
> 150 °C

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 150°C. At 287°C the sample weight has decreased by 25%. After the experiment, a dark brown residue remained in the sample container (original colour: yellow).

 

Main study

During cooling, no effects were observed. During heating an endothermic effect was observed from approximately 150°C. The effect was most likely obtained due to reaction and/or decomposition of the test item. After the experiment, a dark yellow residue remained in the sample container (original colour: yellow). The change of the colour confirmed reaction and/or decomposition of the test item.

To further investigate the melting temperature of the test item, two subsamples of the test item were stored for 19 hours at -23.1 ± 0.5°C and at -82.0 ± 2.4°C respectively. It was observed after storage that the test item was a liquid (-20°C freezer) and a viscous liquid (-80°C freezer). According to this it was concluded that the melting temperature of the test item was < -80°C (< 193K).

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-54582034-AAA (T003642) was determined at < -80°C (<193 K) by applying a storage experiment in the freezer.