Registration Dossier
Registration Dossier
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EC number: 939-682-8 | CAS number: -
Oxidising properties
Administrative data
Link to relevant study record(s)
Description of key information
not oxidising
Key value for chemical safety assessment
- Oxidising properties:
- no
Additional information
Experimental techniques are available for the classification of a substance or preparation as oxidising. These are described in EC Test A17 (solids) and EC Test A21 (liquids). However, Test A17 / A21 need not be carried out when examination of the structural formula establishes beyond reasonable doubt that the substance has no oxidising properties. The supplement to the A17 / A21 method describes situations in which experimental assessment of oxidising properties is not necessary. The contents of this supplement are outlined below.
Compounds which have no highly electronegative atom - oxygen, fluorine, chlorine, bromine - are not likely to possess oxidising properties. Similarly, where these elements are present but the atoms are only bonded to carbon and/or hydrogen, then oxidising properties are unlikely. A substance may have oxidising properties when:
- the highly electronegative atoms which are present constitute a high proportion of the molecule and are bound to elements in a high oxidation state;
- the highly electronegative atoms are bonded to each other or to other electronegative elements such as iodine, nitrogen, sulphur or phosphorus.
As the ability to predict the reactivity of chemical compounds from their structure is still limited, the best approach is by analogy with existing compounds. However, this list is not exhaustive. If the substance meets one of the above criteria, the lack of any reactive groups may not be sufficient to justify not performing the A17 / A21 test.
For organic substances only, the oxygen balance (OB) calculation may be useful as a criteria combined with an examination of the chemical structure as a means of predicting oxidizing properties. For an organic substance (CXHYOZ) of molecular weight M, the OB is calculated as follows:
Oxygen balance = -1600(2X + Y/2 -Z) / mol. wt.
Although experts think that the OB calculation is a possible approach, there is currently no consensus on the criteria that should be used. For the moment, professional judgment will be required to use the OB value on a case by case basis. In any case, if theoretical considerations are used to exclude performance of the A17 / A21 test, the reasons and all relevant information should be clearly stated in the technical dossier.
Examining the structural formula, the following observations can be made:
The molecule contains none of the most commonly occuring oxidising functional groups.
According to the two criteria quoted, oxidising properties can exist when:
- the highly electronegative atoms which are present constitute a high proportion of the molecule and are bound to elements in a high oxidation state
- In the case of test item the proportion of highly electronegative atoms in the molecule is low (2 oxygen atoms out of an overall atom count of 61). Both oxygen atoms are bound to carbon atoms.
- the highly electronegative atoms are bonded to each other or to other electronegative elements such as iodine, nitrogen, sulphur or phosphorus.
- In the case of test item the highly electronegative atoms are not bound to one another, nor to any other electronegative elements.
- Assessment against these two criteria indicates strongly that the molecule will not have oxidising properties.
In every respect of the oxidising liquids exemption procedure, test item does not show any evidence of possessing oxidising properties. On the basis of this exercise, the material should be considered as not oxidising and should not be subjected to experimental testing. The material meets all criteria for exemption from testing and has a structure not at all conducive with that required to exhibit oxidizing tendencies.
On the basis of the chemical structure the substance is incapable of reacting exothermically with combustible materials.Justification for classification or non-classification
The available data on oxidising properties of the test substance do not meet the criteria for classification according to Regulation (EC) 1272/2008 or Directive 67/548/EEC, and are therefore conclusive but not sufficient for classification: Based on the chemical structure the substance is not oxidising.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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