5-methylheptan-3-one oxime

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

Study period:

The study was conducted on 14 September 2017.

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the substance contains chemical groups associated with explosive properties which include oxygen, but the calculated oxygen balance is less than - 200

other:

Qualifier:

no guideline required

Principles of method if other than guideline:

Theoretical consideration, based on chemical structure of the components in the formulation.

GLP compliance:

no

Specific details on test material used for the study:

Commercial Name: Stemone
Givaudan Code No.: 9023501

Interpretation of results:

GHS criteria not met

Conclusions:

From the structural formula of the main constituents of Stemone (see section 3 of Expert Statement report), the constituents are oximes containing an N-O bond. Therefore a final conclusion on Stemone not having explosive properties cannot be made based solely on structural assessment.
Therefore, as foreseen in the tiered assessment procedure, the oxygen balance of Stemone was calculated:
Oxygen balance = -1600 [2x+y/2 -z]/molecular weight = -1600 [2.8 + (17/2)-1 / 143.22 = -262.5
The calculated oxygen balance is less than -200. It can therefore be concluded beyond reasonable doubt that Stemone is incapable of causing explosions by action of external heating sources. As such further testing is not needed.

Executive summary:

From the structural formula of the main constituents of Stemone (see section 3 of Expert Statement report), the constituents are oximes cantaining an N-O bond. Therefore a final conclusion on Stemone not having explosive properties cannot be made based solely on structural assessment.

Therefore, as foreseen in the tiered assessment procedure, the oxygen balance of Stemone was calculated to be = -262.5

The calculated oxygen balance is less than -200.

It can therefore be concluded beyond reasonable doubt that Stemone is incapable of causing explosions by action of external heating sources. As such further testing is not needed.

Description of key information

From the structural formula of the main constituents of Stemone the constituents are oximes cantaining an N-O bond. Therefore a final conclusion on Stemone not having explosive properties cannot be made based solely on structural assessment.

However this study does not need to be conducted because although there are such chemical groups present in the molecule, which are associated with explosive properties, the calculated oxygen balance was less than -200. The calculated oxygen balance was -262.5

It can therefore be concluded beyond reasonable doubt that Stemone is incapable of causing explosions by action of external heating sources. As such further testing is not needed.

Key value for chemical safety assessment

Explosiveness:

non explosive