Phosphonium, tetraphenyl-, salt with 4,4'-sulfonylbis[phenol], compd. with 4,4'-sulfonylbis[phenol] (2:2:1)

Oxidising properties

Link to relevant study record(s)

Reference

Endpoint:

oxidising solids

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

6 May 2022

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

Before performing a test to determine a substances oxidizing properties, it is important to check that this test is applicable to the substance. A substance may have oxidizing properties when: •the electronegative atoms which are present constitute a high proportion of the molecule and are bound to elements in a high oxidation state;
•the electronegative atoms are bonded to each other or to other electronegative elements such as iodine, nitrogen, sulphur or phosphorus. Compounds which have no highly electronegative atom - oxygen, fluorine, chlorine, bromine - are not likely to possess oxidizing properties. Similarly, where these elements are present but the atoms are only bonded to carbon and/or hydrogen, then oxidizing properties are unlikely
As the ability to predict the reactivity of chemicals compounds from their structure is somewhat limited, the best approach is by analogy with existing compounds that are known to be oxidisers. As such, there is is a known list of oxidizing compounds and reactive groups which increase the oxidizing power of a molecule. However this list is not exhaustive. If the substance meets one of the above criteria, the lack of any reactive group named in Annex 1 may not be sufficient to justify not performing the A 17 test.
The regulatory position (specifically the EU Registration, Evaluation, Authorisation and Restriction of Chemicals, REACH, Regulation) with regards to oxidising properties is that a study does not need to be conducted if:
•the substance is explosive; or
•the substance is highly flammable; or
•the substance is an organic peroxide; or
•the substance is incapable of reacting exothermically with combustible materials, for example on the basis of the chemical structure (e.g. organic substances not containing oxygen or halogen atoms and these elements are not chemically bonded to nitrogen or oxygen, or inorganic substances not containing oxygen or halogen atoms). A full test does not need to be conducted for solids if any preliminary evaluation clearly indicates that the test substance has oxidising properties. Note that as there is no test method to determine the oxidising properties of gaseous mixtures, the evaluation of these properties must be realised by an estimation method based on the comparison of the oxidising potential of gases in a mixture with that of the oxidising potential of oxygen in air.

Principles of method if other than guideline:

Before performing a test to determine a substances oxidizing properties, it is important to check that this test is applicable to the substance. A substance may have oxidizing properties when: •the electronegative atoms which are present constitute a high proportion of the molecule and are bound to elements in a high oxidation state;
•the electronegative atoms are bonded to each other or to other electronegative elements such as iodine, nitrogen, sulphur or phosphorus. Compounds which have no highly electronegative atom - oxygen, fluorine, chlorine, bromine - are not likely to possess oxidizing properties. Similarly, where these elements are present but the atoms are only bonded to carbon and/or hydrogen, then oxidizing properties are unlikely
As the ability to predict the reactivity of chemicals compounds from their structure is somewhat limited, the best approach is by analogy with existing compounds that are known to be oxidisers. As such, there is is a known list of oxidizing compounds and reactive groups which increase the oxidizing power of a molecule. However this list is not exhaustive. If the substance meets one of the above criteria, the lack of any reactive group named in Annex 1 may not be sufficient to justify not performing the A 17 test.
The regulatory position (specifically the EU Registration, Evaluation, Authorisation and Restriction of Chemicals, REACH, Regulation) with regards to oxidising properties is that a study does not need to be conducted if:
•the substance is explosive; or
•the substance is highly flammable; or
•the substance is an organic peroxide; or
•the substance is incapable of reacting exothermically with combustible materials, for example on the basis of the chemical structure (e.g. organic substances not containing oxygen or halogen atoms and these elements are not chemically bonded to nitrogen or oxygen, or inorganic substances not containing oxygen or halogen atoms). A full test does not need to be conducted for solids if any preliminary evaluation clearly indicates that the test substance has oxidising properties. Note that as there is no test method to determine the oxidising properties of gaseous mixtures, the evaluation of these properties must be realised by an estimation method based on the comparison of the oxidising potential of gases in a mixture with that of the oxidising potential of oxygen in air.

GLP compliance:

no

Specific details on test material used for the study:

SMILES: C1([O-])C=CC(=CC=1)S(=O)(C(C=CC1O)=CC=1)=O.C1C=CC(=CC=1)[P+](C(=CC=C1)C=C1)(C(C=CC1)=CC=1)C(C=CC1)=CC=1.C1(O)C=CC(=CC=1)S(=O)(C(C=CC1[O-])=CC=1)=O.C1=CC(=CC=C1O)S(=O)(C(C=CC1O)=CC=1)=O.C1=CC=CC(=C1)[P+](C(=CC=C1)C=C1)(C(=CC=C1)C=C1)C(C=CC1)=CC=1

Key result

Sample tested:

other: (Q)SAR

Parameter:

other: (Q)SAR - Oxygen balance

Result:

-212.95 other: %

Remarks on result:

other: (Q)SAR predicted value

Interpretation of results:

GHS criteria not met

Conclusions:

Based on the information and review of the above substance, it is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance values.

Executive summary:

The oxidising properties of the substance have been assessed by consideration of the chemical structure for specific structural species that are associated with oxidising properties and calculation of the oxygen balance to determine oxidising potential.

Based on this assessment, the substance is considered not to be potentially oxidising.

Description of key information

Based on the information and review of the above substance, it is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance values.

Key value for chemical safety assessment

Oxidising properties:

non oxidising