Phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene

Oxidising properties

Link to relevant study record(s)

Reference

Endpoint:

oxidising solids

Type of information:

other: statement

Adequacy of study:

key study

Study period:

May-June 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The EU method was followed. Based on the molecular structure and composition of the test substance a statement rather than a full study was considered sufficient to cover this endpoint.

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method A.17 (Oxidising Properties (Solids))

Principles of method if other than guideline:

REACH guidance with regards to oxidising properties was applied:

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).
A full test does not need to be conducted for solids if any preliminary evaluation clearly indicates that the test
substance has oxidising properties.

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 oxidizing 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.

GLP compliance:

not specified

Key result

Sample tested:

other: Assessment of structure and oxygen balance

Parameter:

other: Assessment of structure and oxygen balance

Remarks on result:

other: Based on the information and review of the oligomers evaluated, the substance is deemed not to be a potential oxidant, based on the chemical structure and oxygen balance values.

The substance consists of a number of series of oligomers, each of which consists of several isomers.

As several isomers are available, it is therefore considered appropriate to assess the smallest theoretical

and largest theoretical molecules respectively. These molecular structures were created based on the general

structural formula of the substance (see attached structures).

Oxygen Balance (OB) Calculator:

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

X = number of atoms of carbon, Y = number of atoms of hydrogen, Z = number of atoms of oxygen, and M =

number of atoms of metal (metallic oxide produced).

OVERALL SUMMARY

Substance Name: Phenol, 4-methyl-, reaction products with dicyclopentadiene and isobutylene

CAS No: 68610-51-5

EINECS / ELINCS No: 271 -867 -2

Structural Alerts: None

Oxygen Balance Value (smallest theoretical mass): -289.52

Oxygen Balance Value (largest theoretical mass): -291.82

Potential Oxidant? No

Interpretation of results:

other: no oxidising properties

Remarks:

Migrated information

Conclusions:

Based on the information and review of the oligomers evaluated, the substance is deemed not to be a potential oxidant, based on the chemical structure and oxygen balance values. The substance does contain oxygen groups; however these are not deemed to constitute a high proportion of the molecule and are not bound to elements in a high oxidation state.

Description of key information

Based on the molecular structure and composition of the test substance a statement rather than a full study was considered sufficient to cover this endpoint.

Key value for chemical safety assessment

Oxidising properties:

no

Additional information

The substance consists of a number of series of oligomers, each of which consists of several isomers.

As several isomers are available, it is therefore considered appropriate to assess the smallest theoretical and largest theoretical molecules respectively.

Based on the information and review of the oligomers evaluated, the substance is deemed not to be a potential oxidant, based on the chemical structure and oxygen balance values. The substance does contain oxygen groups; however these are not deemed to constitute a high proportion of the molecule and are not bound to elements in a high oxidation state.

Justification for classification or non-classification

Based on evaluation of structural featurs and oxygen balance values > -200 it was concluded that the substance has no oxidising properties. Classification according to Directive 67/548/EC and the CLP Regulation is therefore not required.