Ethanone, 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)thio]-

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Jun 2006 to 2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2007

Report date:

2007

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

469-300-0

EC Name:

-

Cas Number:

63675-73-0

Molecular formula:

Hill Empirical Formula: C16H16O3S CAS Empirical Formula: C16H16O3S

IUPAC Name:

1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)sulfanyl]ethan-1-one

Test material form:

solid: particulate/powder

Details on test material:

Sponsor batch no: 151105Purity: 99.9%

Results and discussion

Small-scale preliminary tests

Parameter:

other: exotherm analysis using Differential Scanning Calorimetry

Remarks:

as J/g

Value:

3.07

Remarks on result:

other: Negative: exothermic energy <=500J/g

Any other information on results incl. tables

Structural considerations

 

The test substance has the following molecular formula: C16H16O3S. The calculated oxygen balance for explosive properties was -205.29%. This value is outside the region where there maybe a potential for explosivity, and there are no plosophores or auxoploses present in the structure.

 

DSC testing

 

There was only one exotherm identified by the DSC analysis and the thermal energy was 3.07J/g.Where the exothermic energy is greater than 500J/g, it is considered that a potential for explosion is present, and therefore it was considered that this material is unlikely to possess explosive properties on the basis of this test.

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

The following points summarise the test results:• The oxygen balance (-205.29%) is outside the region where a potential for explosion exists• There are no potentially explosive groups present in the chemical structure• Sharp decomposition exothenns are not present• The enthalpy of the exothenn at 220°C is below the trigger valueIt is therefore concluded that a potential for explosion is unlikely to be present, no further work was undertaken.

Executive summary:

Evaluation of the parameters (oxygen balance, various structural parameters and exothermic decomposition energy) was performed in accordance with EC Directive 92/69/EEC Method A14.

 

From the summary of the test results(above under conclusions), it was concluded that a potential for explosion is unlikely to be present and no further work was carried out.