Phosphoric acid, mono- and di-C16-20-(even numbered, branched and linear)-alkyl esters

Explosiveness

Administrative data

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:

The explosive properties of the substance were predicted based on the molecular structure of its constituents, in accordance with ECHA guidance Chapter R.7a, Section R.7.1.11.1.
According to the guidance, when the substance contains chemical groups associated with explosive properties and if oxygen is present in the molecule, the oxygen balance (OB) may be calculated according to the chemical reaction and mathematical equation below (Lothrop et al.):
CxHyOz + [x + (y/4) -(z/2) ]. O2 → x CO2 + (y/2) H2O
 using the formula:
 OB = -1600 [2x +(y/2) -z] / molecular weight.
Where: x = Number of carbon atoms; y = Number of hydrogen atoms; z = Number of oxygen atoms
(The number of nitrogen atoms present is neglected.)
If the calculated oxygen balance is less than -200, then testing does not need to be conducted and a negative result can be predicted.
The oxygen balance for the main compounds of the substance is less than -200. Therefore, experimental testing of explosive properties is not necessary and a negative result can be predicted according to the above mentioned REACH guidance. An evaluation according to the guidance criteria indicates that the constituents of the substance do not have functionality or chemical groups associated with explosivity, or that could imply explosivity.
The explosive properties of the substance were also predicted according to Appendix 6 of the United Nations’ Recommendations on the Transport of Dangerous Goods, Manual of Tests and Criteria (Fourth Revised ed., 2003). None of these structural elements can be found in the molecular structures of the individual constituents of the substance. All the groups within the molecular structure can be considered as thermodynamically stable under a wide range of conditions including exposure to flame, friction or shock.