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Link to relevant study record(s)

Reference
Endpoint:
oxidising liquids
Type of information:
calculation (if not (Q)SAR)
Remarks:
Calculation of oxygen balance and comparison against structural alerts
Adequacy of study:
key study
Study period:
2018-05-29
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline required
Principles of method if other than guideline:
The report compares 2-tert-butyl-1,4-dimethoxybenzene to the classification criteria for oxidising properties, namely molecular groups being listed as of concern and oxygen balance.
GLP compliance:
not specified
Remarks:
Not experimental study but comparison of structural formula against critera
Specific details on test material used for the study:
Trade name: Vetimoss
Substance name: 2-tert-butyl-1,4-dimethoxybenzene
CAS No.: 21112-37-8
EINEC No.: 244-216-5
Molecular formula: C12H18O2
Sample tested:
other: Test substance
Parameter:
other: Review based on molecular structure
Remarks on result:
other: Based on structural groups, the substance is not expected to be oxidising
Sample tested:
other: Test substance
Parameter:
other: Calculation based on oxygen balance
Remarks on result:
other: Based on oxygen balance, the substance is not expected to be oxidising

Oxygen balance

Oxygen balance (%) = -1600/molecular weight of substance x (2X + (Y/2) + M-Z) where X is the number of carbon atoms, Y is the number of hydrogen atoms, Z is the number of oxygen atoms and M is the number of metal atoms (metallic oxide produced).

Main constituent molecular formula: C12H18O2

Substance molecular weight: 194.273

Oxygen balance: -255.31 %

Potentially oxidising based on positive OB: No

Structural group evaluation

Peroxides: No

Nitrates (salts or esters): No

Nitrites (salts or esters): No

Organic nitro compounds: No

Nitroalkyl: No

Nitroaryl: No

Fluorodinitro: No

Metal oxides: No

Metal oxometallates: No

N-Halogen compounds: No

N-Haloimides: No

Difluoroamino: No

Difluoroaminopolynitroaryl: No

Oxohaolgen compounds: No

Acyl hypohalites: No

Hypofluorites: No

Bis(fluoroxy)perhaloalkanes: No

Perchlorates: No

Chlorates: No

Chlorites: No

Hypochlorites: No

Perbromates: No

Bromates: No

Bromites: No

Hypobromites: No

Periodates: No

Iodates: No

Difluoroperchloryl salts: No

Dioxygenyl polyfluorosalts: No

Interhalogen compounds: No

Metal polyhalohalogenates: No

Based on structrual groups, is the substance potentially oxidising: No

Oxidising conclusion: Not oxidiser

Interpretation of results:
GHS criteria not met
Conclusions:
By assessing the chemical formula and structure of Vetimoss, the oxygen balance of was predicted to be <-200. The substance does not have a chemical structure with oxidising potential. Based on these results, the test substance Vetimoss was predicted to not be potentially oxidising.
Executive summary:

By assessing the chemical formula and structure of Vetimoss, the oxygen balance of was predicted to be <-200. The substance does not have chemical structures with oxidising potential. Based on these results, the test substance Vetimoss was predicted to not be potentially oxidising.

Description of key information

By assessing the chemical formula and structure of Vetimoss, the oxygen balance of was predicted to be <-200. The substance does not have chemical structures with oxidising potential. Based on these results, the test substance Vetimoss was predicted to not be potentially oxidising.

Key value for chemical safety assessment

Oxidising properties:
non oxidising

Additional information

Justification for classification or non-classification

By assessing the chemical formula and structure of Vetimoss, the oxygen balance of was predicted to be <200. The substance does not have chemical structures with oxidising potential. Based on these results, the test substance Vetimoss was predicted to not be potentially oxidising.