Sodium [(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate

Oxidising properties

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

Test material information

Constituent 1

Reference substance name:

Sodium [(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate

EC Number:

306-060-7

EC Name:

Sodium [(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate

Cas Number:

95873-69-1

Molecular formula:

C12H10O6.Na

IUPAC Name:

sodium [(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate

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.