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Physical & Chemical properties

Explosiveness

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Reference
Endpoint:
explosive properties of explosives
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
The study does not need to be conducted as there are no structural alerts (see RIP 3.2.2 on R7 tabled R7-28) and the calculated oxygen balance of the known consituents are all less than -200.

Oxygen balance calculations:
Constituent 1 (N,N,N’,N’-tetrabutylmethylenediamine): C17H32N2, mol wt 270.5 g/mol. Calculated oxygen balance = -295.7
Constiuent 2 (dibutylamine): C8H19N, mol wt 129.2 g/mol. Calaculated oxygen balance = -315.8

Oxygen Balance, as defined by Lothrop and Handrick(1949) and calculated as:

Oxygen Balance = -1600 (2x + y/2 - z)/M

Where for an organic compound:
CxHyOz
M: molecular weight.

Description of key information

Explosiveness: Not explosive, structural assessment and oxygen balance; Specific rules for adaptation, Regulation (EC) 1906/2006, Annex VII, Part 7.11, Column 2.

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

Waiver – In accordance with the specific rules for adaptation listed in Paragraph 7.11, Column 2, Annex VII, Regulation (EC) 1906/2006 of 18 December 2006, a explosiveness 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”.  The substance constituents do not contain groups associated with explosive properties and additionally the calculated oxygen balance for each constituent is < - 200 (N,N,N',N'-tetrabutylmethlenediamine = -295.7, dibutylamine = -315.8).

Furthermore, handling and use confirm that the substance does not have explosive properties. According to ECHA Guidance on Information Requirements and Chemical Safety Assessment (Chapter R.7a: Endpoint Specific Guidance, R.7.1.11, December 2016) the study does not need to be conducted.

The test item does not nee to be categorised in accordance with Commission Regulation (EC) No 1272/2008 (Classification Labelling and Packaging) of 16 December 2008.

Justification for classification or non-classification

The test item is not classified as explosive in accordance with the screening procedure defined in Section 2.1.4.3., Annex II of Regulation (EC) 1272/2008 of 16 December 2008.  The test item does not contain constituents which have chemical groups associated with explosive properties nor does the test item contain any constituents which have a calculated oxygen balance of greater than -200.