Registration Dossier

Administrative data

Endpoint:
oxidising solids
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
March 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.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

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.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
Batch 44034
Description: Cream to light grey powder
Expiry date: 30 November 2019
Storage conditions: Controlled room temperature (15-25 ºC, below 70 RH%).
Specific details on test material used for the study:
molecular formula: C12H9NaO6

Results and discussion

Test results (Oxidising solids)
Sample tested:
other: QSAR evaluation
Parameter:
other: QSAR evaluation
Remarks on result:
other: not potentially oxidising

Any other information on results incl. tables

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

based on oxygen balance value (-138.14%) , the substance is not potentially oxidising.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Based on the information and review of the substance, sodium methylesculetin acetate is deemed not to be potentially oxidising.
Executive summary:

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

The substance contains no structural indications of propensity to cause oxidation, and the oxygen balance is not indicative of excess oxygen. On this basis, the substance is predicted to be not a oxidiser.