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Diss Factsheets

Administrative data

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 oxygen balance was calculated from the empirical formula of a compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide, hydrogen to water and metal to metal oxide. For organic substances, an oxygen balance calculation may be useful as a criteria combined with an examination of the structure as a means of predicting oxidizing potential.
GLP compliance:
not specified
Specific details on test material used for the study:
Trade name: Ocimene PQ
Substance name: Reaction mass of (Z)-3,7-dimethylocta-1,3,6,-triene and dipentene
Substance CAS No.: N/A
Substance EINECS No.: 933-779-9
Name Constituent 1: (Z)-3,7-dimethylocta-1,3,6,-triene
CAS No Constituent 1: 3338-55-4
Molecular formula (constituent 1): C10H16
Name Constituent 2: dipentene
CAS No Constiutent 2: 138-86-3
Molecular formula (constituent 2): C10H16
Sample tested:
other: Test material
Parameter:
other: Oxygen balance
Result:
-328.84 other: dimensionless
Remarks on result:
other: See 'Remarks'
Remarks:
Oxygen balance of was calculated from the empirical formula of the compound.

 

Constituent 1: (Z)-3,7-dimethylocta-1,3,6,-triene

Consituent 2: Dipentene

 

Structural alerts for oxidising potential?

None

None

Oxygen balance

-328 .84

-328 .84

Oxidising potentntial conclusion

Not an oxidiser

Not an oxidiser

 

Interpretation of results:
GHS criteria not met
Conclusions:
The substance is not predicted to be an oxidiser. The substance have an oxygen balance of < -200 and the chemical structures contains no structural indications of propensity to cause oxidation.
Executive summary:

The oxidising potential of Ocimene PQ was estimated using the structural groups present and the oxygen balance of the constituents of the substance. The substance is not predicted to be an oxidiser. The substance have an oxygen balance of < -200 and the chemical structures contains no structural indications of propensity to cause oxidation.

Description of key information

The substance is not predicted to be an oxidiser. The substance have an oxygen balance of < -200 and the chemical structures contains no structural indications of propensity to cause oxidation.

Key value for chemical safety assessment

Oxidising properties:
non oxidising

Additional information

Justification for classification or non-classification

Both constituents of Ocimene PQ have an oxygen balance of <-200, and the chemical structure contains no structural indications of propensity to cause oxidation, therefore Ocimene PQ was predicted to not be an oxidising compound. On this bases, Ocimene PQ does not need to be classified for oxidising properties.