Quaternary ammonium compounds, dicoco alkyldimethyl, nitrites

Oxidising properties

Link to relevant study record(s)

Reference

Endpoint:

oxidising liquids

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

other:

Justification for type of information:

Although the substance contains a nitrite functionality whereby two electronegative oxygen atoms are bonded to nitrogen, the “concentration” of nitrite in this UVCB substance is ca. only 7% (equating to ca. 4.9% oxygen) and the vast majority of this substance is organic in nature. Therefore, it is not envisaged that this low concentration of nitrite / oxygen within this substance will result in it demonstrating oxidising properties.

In addition to the above, the oxygen balance can be calculated. The oxygen balance of a compound is the difference between the oxygen content of the compound and that required to oxidize fully the carbon, hydrogen and other oxidizable elements to carbon dioxide, water, etc.

The Oxygen balance (OB, or OB%) is calculated as follows :-

Oxygen balance = -1600 x [(2.x) + (y/2) – no of oxygen atoms] / molecular weight

If there is a deficiency of oxygen present, the balance is negative, while an excess of oxygen gives a positive balance, and such compounds can act as oxidants. Nitrogen is not considered oxidisable.

Therefore, the oxygen balance of N-dodecyl-N,N-dimethyldodecan-1-aminium nitrite, CAS Number 71308-04-8, EC Number 275-313-0 (the major component of quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites) is as follows :-

The molecular formula of this substance is C26H56N.NO2

MW= 428.73

Oxygen balance = -1600 x [(2 x26) + (56/2) - 2] / 428.73

Oxygen balance = -291%


The oxygen balance of Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites is substantially negative indicating that it is unlikely to be an oxidiser.

(See attached Expert Statement)

Interpretation of results:

other: A waiver is presented, see attached Expert Statement

Description of key information

Evaluation of the structural integrity of the substance can give an indication as to whether oxidising properties are likely to be expected since the presence of certain functional groups in sufficient concentrations can lead to the elicitation of oxidising properties.

 

Typical functional groups that can lead to oxidising properties are chlorates, nitrates, trioxides, perchlorates or nitrites, peroxides, permanganates, persulphates or hypochlorites.

The major component of Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, is N-dodecyl-N,N-dimethyldodecan-1-aminium nitrite, CAS Number 71308-04-8, EC Number 275-313-0.

Although the substance contains a nitrite functionality whereby two electronegative oxygen atoms are bonded to nitrogen, the “concentration” of nitrite in this UVCB substance is ca. only 7% (equating to ca. 4.9% oxygen) and the vast majority of this substance is organic in nature. Therefore, it is not envisaged that this low concentration of nitrite / oxygen within this substance will result in it demonstrating oxidising properties.

In addition to the above, the oxygen balance can be calculated. The oxygen balance of a compound is the difference between the oxygen content of the compound and that required to oxidize fully the carbon, hydrogen and other oxidizable elements to carbon dioxide, water, etc.

The Oxygen balance (OB, or OB%) is calculated as follows :-

Oxygen balance = -1600 x [(2.x) + (y/2) – no of oxygen atoms]  / molecular weight

If there is a deficiency of oxygen present, the balance is negative, while an excess of oxygen gives a positive balance, and such compounds can act as oxidants. Nitrogen is not considered oxidisable.

Therefore, the oxygen balance of  N-dodecyl-N,N-dimethyldodecan-1-aminium nitrite, CAS Number 71308-04-8, EC Number 275-313-0 (the major component of quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites) is as follows :-

The molecular formula of this substance is  C26H56N.NO2

MW= 428.73

Oxygen balance = -1600 x [(2 x26) + (56/2) - 2] / 428.73

Oxygen balance = -291%

The oxygen balance of Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites is substantially negative indicating that it is unlikely to be an oxidiser.

 

Key value for chemical safety assessment

Oxidising properties:

non oxidising