Benzoic acid, 2-chloro-5-nitro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2001

Report date:

2001

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

capillary method

Test material

Test material information

Constituent 1

Reference substance name:

prop-2-en-1-yl 2-(2-chloro-5-nitrobenzoyloxy)-2-methylpropanoate

EC Number:

696-317-2

Cas Number:

174489-76-0

Molecular formula:

C14H14ClNO6

IUPAC Name:

prop-2-en-1-yl 2-(2-chloro-5-nitrobenzoyloxy)-2-methylpropanoate

Results and discussion

Melting / freezing point

Melting / freezing pt.:

ca. 47 °C

Decomposition:

no

Sublimation:

no

Any other information on results incl. tables

Equipment:

Mettler central processor and a FP81HT MBC cell. 

 

Procedure:

An approximate determination of the melting point range of the test item was performed using a heating rate of 1.0 °C/minute, starting from a temperature of 30.0 °C. An approximate melting range of 46.7 – 47.3 °C was determined. 

As a control, the melting point of a reference material (benzophenone) melting point standard was determined. The melting point of benzophenone is close to that of the test item. 

A heating rate of 0.2 °C/minute was used starting at 44.0 °. 

Finally the melting point of the test item was investigated using a heating rate of 0.2 °C/minute. 

The results of these determinations are in Table 1.

 

 

 

Table 1:

Substance	Melting Point (°C)	Average Melting Point (°C)	Melting Range (°C)		Average Melting Range (°C)
			Start	End	Start	End
CA2218			46.8 46.8 46.8	47.0 47.1 47.0	46.8	47.0
Benzophenone	47.9 47.9 47.9	47.9

 

For the reference material, the average determined melting point of 47.9 °C was in good agreement with the literature value of 47.7 °C, quoted by the manufacturer. 

As the difference between the average temperatures for the beginning and the end of melting for the test item is within the limit of the accuracy of the method, the melting pint is taken as the temperature at the end of melting. 

 

The accuracy of the determination was estimated to be about ± 0.4 °C. 

Applicant's summary and conclusion

Conclusions:

The melting point of the test item was determined to be:
47.0 °C (= 320.0 K)

Executive summary:

 

The melting point of CA 2218 has been determined using the capillary method with photocell detection.

This study was performed in accordance with the OECD guideline for the testing of chemicals, number 102, July 1995; the EEC method A.1., Official Journal of the European Communities: 92/69/EEC, No. L383, December 1992 and the Product Properties Test Guideline, OPPTS 830.7200, August 1996, EPA. The melting point of the test item was determined to be:

47.0 °C (= 320.0 K)