1-Propanone, 2-hydroxy-2-methyl-, 1-(4-C10-13-alkylphenyl) derivs.

Explosiveness

Administrative data

Endpoint:

explosiveness

Type of information:

other: statement

Adequacy of study:

key study

Study period:

29 April - 25 July, 2008

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The EU method was followed. Based on the molecular structure a statement rather than a full study was considered sufficient to cover this endpoint.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

Deviations:

not applicable

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

1-Propanone, 2-hydroxy-2-methyl-, 1-(4-C10-13-alkylphenyl) derivs.

Cas Number:

1001416-18-7

Molecular formula:

Not applicable - UVCB

IUPAC Name:

1-Propanone, 2-hydroxy-2-methyl-, 1-(4-C10-13-alkylphenyl) derivs.

Results and discussion

Small-scale preliminary tests

Small-scale preliminary tests 1

Parameter:

other: More sensitive to shock than m-dinitrobenzene

Remarks:

migrated information

Remarks on result:

not measured/tested

Small-scale preliminary tests 2

Parameter:

other: More sensitive to friction than m-dinitrobenzene

Remarks:

migrated information

Remarks on result:

not measured/tested

Small-scale preliminary tests 3

Parameter:

other: Explosive under influence of flame

Remarks:

migrated information

Remarks on result:

not measured/tested

Small-scale preliminary tests 4

Parameter:

other: Explosive (not specified)

Remarks:

migrated information

Remarks on result:

negative (not further specified)

Any other information on results incl. tables

Molecular structure

The structure of the test substance does not contain any chemically instable or highly energetic groups that might lead to an explosion. The impurities, present for <= 1.2 % in the test substance, were not taken into account but it is not to be expected that these have any influence.It is not to be expected that an interaction between the different components occurs.

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) - (o/2)] O₂ -> c CO₂ + (h/2) H₂O where c, h and o are the amounts of carbon, hydrogen and oxygen atoms respectively.

Oxygen balance (%) = -1600 x [2 x c + (h/2) - o] / 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 C₄H₇O₂-C₆H₄-C_nH_(2n+1) with n=10-13 as molecular formula the oxygen balance for the test substance were calculated to be between -284% and -291%. These values are outside the region where there may be a potential for explodability.

Applicant's summary and conclusion

Conclusions:

The substance is considered not explosive.