A mixture of: 2,4 -bis(N'-(4-methylphenyl)ureido)toluene; 2,6 -bis(N'-(4-methylphenyl)ureido)toluene

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

November 5, 2001

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: This study has been performed according to OECD 102 (1995), EU Method A.1 (1992) and according to GLP principles. Limited information available to verify the composition of the used test substance.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2001

Report date:

2001

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

(1995)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

(1992)

Deviations:

no

GLP compliance:

yes

Type of method:

thermal analysis

Remarks:

(differential scanning calorimetry (DSC))

Test material

Test material information

Constituent 1

Reference substance name:

A mixture of: 2,4 -bis(N'-(4-methylphenyl)ureido)toluene; 2,6 -bis(N'-(4-methylphenyl)ureido)toluene

EC Number:

411-070-0

EC Name:

A mixture of: 2,4 -bis(N'-(4-methylphenyl)ureido)toluene; 2,6 -bis(N'-(4-methylphenyl)ureido)toluene

Molecular formula:

C23H24N4O2

IUPAC Name:

3-(2-methyl-5-{[(4-methylphenyl)carbamoyl]amino}phenyl)-1-(4-methylphenyl)urea

Details on test material:

- Name of test material (as cited in study report): KY-ET
- Appearance: White powder
- Storage condition of test material: At room temperature in the dark

Results and discussion

Melting / freezing point

Melting / freezing pt.:

>= 283 - <= 285 °C

Decomposition:

yes

Decomp. temp.:

>= 322

Remarks on result:

other: Reaction and/or decomposition of the substance started immediately after melting

Any other information on results incl. tables

Experiment #1

A large endothermic effect was observed between about 225°C and 345°C. This effect was probably caused by melting of the test substance. The extrapolated onset temperature of the peak is 283°C and the peak maximum is at 304°C. The peak has a shoulder at the high temperature side at 324°C. An exothermic effect started at about 345°C. This effect was probably caused by reaction and/or decomposition of the test substance. After the experiment, the sample appeared to have been molten and had lost 1.44 mg (75%) of its mass. The residue was black (original colour: white).

Experiment #2

The large endothermic melting peak was observed between 233°C and 325°C. The extrapolated onset temperature of the peak is 285°C and the peak maximum is at 299°C. A shoulder at approx. 314°C was observed. After the experiment, the sample appeared to have been molten and had lost 1.50 mg (65%) of its mass. The residue had a light-brown colour (original colour: white).

Experiment #3

The endothermic melting peak was observed between 230°C and 322°C. The extrapolated onset temperature of the peak is 285°C and the peak maximum is at 298°C. The peak has a shoulder on the high temperature side (at 314°C). An exothermic effect was observed above about 322°C. After the experiment, the sample appeared to have been molten and had lost 1.69 mg (70%) of its mass. The residue had a dark-brown colour (original colour: white).

Applicant's summary and conclusion

Conclusions:

The melting temperature range of KY-ET was determined to be 283 - 285°C, determined by DSC in accordance with OECD 102 (1995), EU Method A.1 (1992) and according to GLP principles.