2-chlorophenyl cyclopentyl ketone

Melting point / freezing point

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 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

Test material

Test material information

Constituent 1

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.