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Physical & Chemical properties

Explosiveness

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Administrative data

Endpoint:
explosiveness
Type of information:
other: Expert Judgement
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Expert Judgement, reported and documented according to GLP

Data source

Reference
Reference Type:
other: Expert Judgement Report
Title:
Unnamed
Report date:
2005

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.14 (Explosive properties)
Deviations:
not applicable
GLP compliance:
yes

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
460-100-9
EC Name:
-
Cas Number:
342573-75-5
Molecular formula:
Hill formula: C8H16N2O4S CAS formula: C6H11N2.C2H5O4S
IUPAC Name:
3-ethyl-1-methyl-1H-imidazol-3-ium ethyl sulfate
Details on test material:
Identification: 1-ETHYL-3-METHYL IMIDAZOLIUM ETHYLSULFATE (EMIM ES)
Molecular formula: C8H16N2O4S
Molecular weight: 236.29
CAS Number: 342573-75-5
Description: Light yellow viscous liquid
Batch: 99/484
Purity: 99.0% (HPLC)
Test substance storage: At room temperature in the dark
Stability under storage conditions: Not indicated
Expiry date: 10 June 2005 (allocated by NOTOX, 1 year after receipt of the test substance)

Results and discussion

Any other information on results incl. tables

Molecular structure : The molecular structure of the test substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.

Oxygen balance : The oxygen balance of a compound is the difference between the oxygen content of the compound and that required to fully oxidize the carbon, hydrogen and other oxidisable elements to carbon dioxide, water, etc .. Nitrogen is not considered oxidisable and is usually liberated as the gaseous element during explosive decomposition. The oxygen balance is calculated for the chemical reaction: CcHhOo + [c + (h/4) - (h/2)] O2 -> c CO2 + (h/2) H2O where c, hand o are the amounts of carbon, hydrogen and oxygen atoms respectively. One sulphur atom is equal to two oxygen atoms and therefore the amount of sulphur atoms was added to the amount of carbon atoms. Oxygen balance (%) = -1600 x [2 x c + (h/2) - 0] 1 molecular weight. If there is a deficiency of oxygen, the balance is negative, while an excess of oxygen gives a positive balance. Compounds with a positive balance can act as oxidants and are often explosive in nature. However, there are known explosives with an oxygen balance of -64%. Compounds with an oxygen balance which is more negative than -200% are not considered to pose an explosive risk. Using C8H16N2O4S as molecular formula and 236.29 g/mol as molecular weight, the oxygen balance for the test substance is calculated to be -149%. This is > -200% and therefore within the region where there may be a potential for explodability. However, there are no plosophores (bond groupings known to confer explosive properties) or auxoploses (explosive enhancing groups) present in the structure. The relatively high oxygen balance is considered due to the presence of the OS03-groUP in the molecule. Overall consideration of the properties does not suggest a risk of explodability for the test substance.

Applicant's summary and conclusion

Interpretation of results:
non explosive
Remarks:
Migrated information
Conclusions:
1-ETHYL-3-METHYL IMIDAZOLIUM ETHYLSULFATE (EMIM ES) is not explosive.
Executive summary:

The procedure for the determination of the explosive properties is described in the following guideline: European Economy Community (EEC), EEC Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.14 "Explosive properties", EEC Publication No. L383, December 1992. The molecular structure of the test substance does not contain any chemically instable or highly energetic groups that might lead to an explosion. The test substance has an oxygen balance of -149%. This is > -200% and therefore within the region where there may be a potential for explodability. However, there are no plosophores (bond groupings known to confer explosive properties) or auxoploses (explosive enhancing groups) present in the structure. The relatively high oxygen balance is considered due to the presence of the OS03-group in the molecule. Overall consideration of the properties does not suggest a risk of explodability for the test substance. In conclusion, 1-ETHYL-3-METHYL IMIDAZOLIUM ETHYLSULFATE (EMIM ES) is not explosive.