Registration Dossier

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
explosiveness
Type of information:
other: statement
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Based on the molecular structure a statement rather than a full study was considered to be sufficient to cover the endpoint.
Qualifier:
according to
Guideline:
EU Method A.14 (Explosive properties)
Deviations:
not applicable
GLP compliance:
yes (incl. certificate)
Parameter:
other: More sensitive to shock than m-dinitrobenzene
Remarks:
migrated information
Remarks on result:
not measured/tested
Parameter:
other: More sensitive to friction than m-dinitrobenzene
Remarks:
migrated information
Remarks on result:
not measured/tested
Parameter:
other: Explosive under influence of flame
Remarks:
migrated information
Remarks on result:
not measured/tested
Parameter:
other: Explosive (not specified)
Remarks:
migrated information
Remarks on result:
negative (not further specified)

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) – (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 C10H14Oas molecular formula and 150 g/mol as molecular weight, the oxygen balance for the test substance was calculated to be –277 %. This value is outside the region where there may be a potential for explodability.

 

Conclusions:
In conclusion, 2-sec-butylphenol is not explosive.
Executive summary:

Based on the molecular structure of the test substance 2 -sec-butylphenol, a statement rather than a full study was considered to be sufficient to cover the endpoint explosiveness. This statement is based on the EU Method A. 14 (Explosive Properties).

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

Using C10H14Oas molecular formula and 150 g/mol as molecular weight, theoxygen balance for the test substance was calculated to be –277 %. This value is outside the region where there may be a potential for explodability. In conlusion, 2 -sec-butylphenol is not explosive.

Description of key information

Not explosive

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

Based on the molecular structure of the test substance 2 -sec-butylphenol, a statement rather than a full study was considered to be sufficient to cover the endpoint explosiveness. This statement is based on the EU Method A. 14 (Explosive Properties).

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

Using C10H14Oas molecular formula and 150 g/mol as molecular weight, theoxygen balance for the test substance was calculated to be –277 %. This value is outside the region where there may be a potential for explodability. In conlusion, 2 -sec-butylphenol is not explosive.

Justification for classification or non-classification