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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
oxidising properties, other
Type of information:
(Q)SAR
Remarks:
estimated by calculation
Adequacy of study:
key study
Study period:
23 October 2015
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:
Follows sound scientific evaluation based on structure and oxygen balance.
Qualifier:
according to
Guideline:
other: Assessment of structure and oxygen balance
Deviations:
no
Principles of method if other than guideline:
The oxygen balance is calculated from the empirical formula of the compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide and hydrogen to water. A structural evaluation determines the oxidising potential based on the presence or absence of highly electronegative atoms.
GLP compliance:
no
Remarks:
Conducted in compliance with ISO 9001 accreditation
Key result
Sample tested:
other: Not applicable
Remarks:
QSAR
Parameter:
other: Oxygen balance
Result:
-234.17 other: %
Remarks on result:
other: Not oxidising

The oxygen balance value of the substance was calculated to be -234.17. This is not indicative of the potential to cause oxidisation.

The following groups are known to cause oxidisation:

-Peroxides

-Nitrates (salts or esters)

-Nitrites (salts or esters)

-Organic nitro compounds: Nitroalkyl, Niroaryl, Fluorodinitro, Metal oxides, Metal oxometallates, N-Halogen cmpounds, N-Haloimides, Difluoroamino, Difluoroaminopolynitroaryl

-Oxohalogen compounds: Acryl hypohalites, Hypofluorites, Bis(fluoroxy)perhaloalkanes, Perchlorates, Chlorate, Chlorites, Hypochlorites, Perbromates, Bromates, Bromites, Hypobromites, Periodates, Iodates, Difluoroperchloryl salts, Dioxygenyl polyfluorosalts.

-Interhalogen compounds: Metal polyhalohalogenates

The substance contains none of these groups.

Interpretation of results:
other: no oxidising properties
Conclusions:
The substance is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance of -234.17.
Executive summary:

Calculation based on structure and oxygen balance was carried out and determined that the substance was not potentially oxidising. In accordance with EU-REACH regulations no further study needs to be carried out.

Description of key information

Key value determined following sound scientific evaluation of structure and oxygen balance.

Key value for chemical safety assessment

Oxidising properties:
no

Additional information

Calculation based on structure and oxygen balance was carried out and determined that the substance was not potentially oxidising. In accordance with EU-REACH regulations no further study needs to be carried out.

Justification for classification or non-classification