2,5-di-tert-pentylhydroquinone

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosiveness

Type of information:

other: statement

Adequacy of study:

key study

Study period:

May 2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The EU method was followed and UN guidance considered. 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.14 (Explosive properties)

Principles of method if other than guideline:

REACH guidance with regards to explosivity was applied:

A study does not need to be conducted if:
– there are no chemical groups associated with explosive properties present in the molecule; or
– the substance contains chemical groups associated with explosive properties which include oxygen and the calculated oxygen balance is less than –200; or
– the organic substance or a homogenous mixture of organic substances contains chemical groups associated with explosive properties, but the exothermic decomposition energy is less than 500 J/g and the onset of exothermic decomposition is below 500 ºC; or
– for mixtures of inorganic oxidising substances (UN Division 5.1) with organic materials, the concentration of the inorganic oxidising substance is:
– less than 15 %, by mass, if assigned to UN Packaging Group I (high hazard) or II (medium hazard)
– less than 30 %, by mass, if assigned to UN Packaging Group III (low hazard).

Oxygen balance is an expression that is used to indicate the degree to which an explosive can be oxidized. If an explosive molecule contains just enough oxygen to convert all of its carbon to carbon dioxide, all of its hydrogen to water, and all of its metal to metal oxide with no excess, the molecule is said to have a zero oxygen balance. The molecule is said to have a positive oxygen balance if it contains more oxygen than is needed and a negative oxygen balance if it contains less oxygen than is needed. The sensitivity, strength, and brisance of an explosive are all somewhat dependent upon oxygen balance and tend to approach their maximums as oxygen balance approaches zero.
The oxygen balance is calculated from the empirical formula of a compound in percentage of oxygen required for completeconversion of carbon to carbon dioxide, hydrogen to water, and metal to metal oxide.

When using oxygen balance to predict properties of one explosive relative to another, it is to be expected that one with anoxygen balance closer to zero will be potentially explosive; however, many exceptions to this rule do exist. Consideration of potentially explosive groups therefore also needs to be undertaken.

GLP compliance:

not specified

Parameter:

other: Explosive (not specified)

Remarks:

migrated information

Remarks on result:

negative (not further specified)

Remarks:

based on structural features and oxygen balance value

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: 2,5-di-tert-pentylhydroquinone

CAS No: 79 -74 -3

EINECS / ELINCS No: 201 -222-2

Structural Alerts: None

Oxygen Balance Value: -274.78

Potentially Explosive? No

 

Based on the chemical structure and oxygen balance values of the substance of interest, it isdeemed not to be potentially explosive.

Interpretation of results:

non explosive

Remarks:

Migrated information

Conclusions:

Based on the evaluation of the chemical structure and oxygen balance value of the substance of interest, it is deemed not to be potentially explosive.

Description of key information

Based on the evaluation of the chemical structure and oxygen balance value of the substance of interest, it is deemed not to be potentially explosive.

Key value for chemical safety assessment

Explosiveness:

non explosive

Additional information

The EU method was followed and UN guidance considered. 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.

Justification for classification or non-classification

Based on the above mentioned result, classification according to the CLP Regulation (EC) 1272/2008 and the Dangerous Substance Directive 67/548/EC is not considered necessary.