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Reference
Endpoint:
explosive properties of explosives
Type of information:
other: Structural assessment
Adequacy of study:
key study
Study period:
Not specified
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
A structural group evaluation was performed and the oxygen balance was calculated.
GLP compliance:
no
Remarks:
No laboratory work was performed, therefore GLP is not required.
Key result
Test series:
other: Assessment of structure
Method:
other: Assessment of the chemical structure and oxygen balance values.
Parameter:
other: Assessment of structure
Remarks on result:
other: Based on the information and review of the test material, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.

None of the structural features indicative of explosivity were present. Therefore based on structural groups the substance is not potentially explosive.

 

Oxygen Balance (0B) Calculator

 

OB % = (-1600/ Mol.wt of test material) x (2X + (Y/2) + (M-Z))

Where:

X = number of atoms of carbon

Y = number of atoms of hydrogen

Z = number of atoms of oxygen

M = number of atoms of metal (metallic oxide produced)

 

In the substance structural formula, where n=0:

- Carbon: 13 x 12.011 = 156.143

- Hydrogen: 12 x 1.0079 = 12.0948

- Oxygen: 3 x 15.9994 = 47.9982

- No other elements were present.

- Substance molecular weight = 216.236

- Oxygen balance (%) = -214.58

- Potential explosivity based on OB greater than -200 %: No

 

In the substance structural formula where n=10:

- Carbon: 130 x 12.011 = 1561.43

- Hydrogen: 120 x 1.0079 = 120.948

- Oxygen: 30 x 15.9994 = 479.982

- No other elements were present.

- Substance molecular weight = 2162.36

- Oxygen balance (%) = -214.58

- Potential explosivity based on OB greater than -200 %: No

Interpretation of results:
other: Not classified in accordance with EU Criteria.
Conclusions:
Following a review of the structure of the test material, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.
Executive summary:

The regulatory position with regards to explosivity is that a study does not need to be conducted if there are no chemical groups associated with explosive properties present in the molecule; or the substance contains chemical groups associated with explosive properties which include oxygen and the calculated oxygen balance is less than -200.

A structural group evaluation was performed and the oxygen balance was calculated.

Based on the information and review of the test material, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.

Description of key information

Following a review of the structure of the test material, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

The regulatory position with regards to explosivity is that a study does not need to be conducted if: there are no chemical groups associated with explosive properties present in the molecule; or the substance contains chemical groups associated with explosive properties which include oxygen and the calculated oxygen balance is less than -200.

A structural group evaluation was performed and the oxygen balance was calculated.

The test material is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.

Justification for classification or non-classification

In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No 1272/2008, the substance does not require classification with respect to explosive properties.

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