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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
oxidising solids
Type of information:
other: Structural assessment
Adequacy of study:
key study
Study period:
Not specified
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
A structural group evaluation was performed and the oxygen balance was calculated.
GLP compliance:
no
Remarks:
No laboratory work was performed, therefore GLP is not required.
Key result
Parameter:
other: Assessment of chemical structure and oxygen balance values.
Remarks on result:
other: The test material is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance values.

None of the structural features indicative of oxidising properties were present. Therefore based on structural groups the substance is not potentially not potentially oxidising.

Oxygen Balance (0B) Calculator

 OB % = (-1600/ Mol.wt of test material) x (2X + (Y/2) + (M-Z))

Where:

X = number of atoms of carbon

Y = number of atoms of hydrogen

Z = number of atoms of oxygen

M = number of atoms of metal (metallic oxide produced)

 

In the substance structural formula where n=0:

- Carbon: 13 x 12.011 = 156.143

- Hydrogen: 12 x 1.0079 = 12.0948

- Oxygen: 3 x 15.9994 = 47.9982

- No other elements present.

- Substance molecular weight = 216.236

- Oxygen balance (%) = -214.58

- Potential oxidising based on positive OB: No

 

In the substance structural formula where n=10:

- Carbon: 130 x 12.011 = 1561.43

- Hydrogen: 120 x 1.0079 = 120.948

- Oxygen: 30 x 15.9994 = 479.982

- No other elements present.

- Substance molecular weight = 2162.36

- Oxygen balance (%) = -214.58

- Potential oxidising based on positive OB: No

Interpretation of results:
other: Not classified in accordance with EU Criteria
Conclusions:
The test material is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.
Executive summary:

The regulatory position with regards to oxidising properties is that a study does not need to be conducted if the substance is explosive; or the substance is highly flammable; or the substance is an organic peroxide; or the substance is incapable of reacting exothermically with combustible materials, for example on the basis of the chemical structure (e.g. organic substances not containing oxygen or halogen atoms and these elements are not chemically bonded to nitrogen or oxygen, or inorganic substances not containing oxygen or halogen atoms).

For organic substances only, an Oxygen Balance (OB) calculation may be useful as a criteria combined with an examination of the chemical structure as a means of predicting oxidising properties. The oxygen balance is 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.

The test material is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.

Description of key information

The test material is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.

Key value for chemical safety assessment

Oxidising properties:
non oxidising

Additional information

The regulatory position with regards to oxidising properties is that a study does not need to be conducted if the substance is explosive; or the substance is highly flammable; or the substance is an organic peroxide; or the substance is incapable of reacting exothermically with combustible materials, for example on the basis of the chemical structure (e.g. organic substances not containing oxygen or halogen atoms and these elements are not chemically bonded to nitrogen or oxygen, or inorganic substances not containing oxygen or halogen atoms).

For organic substances only, an Oxygen Balance (OB) calculation may be useful as a criteria combined with an examination of the chemical structure as a means of predicting oxidising properties. The oxygen balance is 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.

The test material is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance values. Oxygen balance values do not change regardless of the "n" value.

Justification for classification or non-classification

In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No 1272/2008, the substance does not require classification with respect to oxidising properties.