2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2:1)

Oxidising properties

Link to relevant study record(s)

Reference

Endpoint:

oxidising solids

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2018

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:

The purpose of this assessment is to evaluate the propensity of the test item to be potentially oxidising based based on the chemical structure, and associated oxygen balance.

Principles of method if other than guideline:

QSAR
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, the oxdizing properties are unlikely.

For organic substances only, an oxygen balance (OB) calculation may be useful as a criteria combined with an eximation of the chemical structure as a means of predicting oxidizing properties. The oxygen balance is calculated from the empirical formula of a coumpound in percentage of oxygen required for complete conversion of carbon dioxide, hydrogen to water, and metal to metal oxide.

Specific details on test material used for the study:

molecular formula : C24H38N4O10S2

Parameter:

other: QSAR evaluation

Remarks on result:

other: the substance is not potentially oxidising.

based on structural groups, the substance is not potentially oxidising.

based on oxygen balance value (-150.32%) , the substance is not potentially oxidising.

Interpretation of results:

GHS criteria not met

Conclusions:

No potentially oxidising

Executive summary:

The oxidising properties were estimated using the (Q)SAR model. This is a valid model for this substance which falls into its applicability domain.

Based on the information and review of the substance, Hexamidine diisethionate is deemed to be NOT POTENTIALLY OXIDISING, based on the chemical structure and oxygen balance values.

Description of key information

Based on the information and review of the substance, Hexamidine diisethionate is deemed to be NOT POTENTIALLY OXIDISING, based on the chemical structure and oxygen balance values.

Key value for chemical safety assessment

Oxidising properties:

non oxidising

Justification for classification or non-classification

Based on the information and review of the substance, Hexamidine diisethionate is deemed to be NOT POTENTIALLY OXIDISING, based on the chemical structure and oxygen balance values.