Registration Dossier

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
explosiveness
Type of information:
other: statement
Adequacy of study:
key study
Study period:
May 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study has been performed according to EC guideline. No mention of GLP principles. Based on the molecular structure 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 complete conversion 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 an oxygen 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
Key result
Parameter:
other: Explosive (not specified)
Remarks:
migrated information
Remarks on result:
negative (not further specified)
Remarks:
based on structure evaluation and oxygen balance value

OVERALL SUMMARY

Substance Name: Decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane

CAS No: 68130 -53 -0

EINECS / ELINCS No: 268 -596 -7

Structural Alerts: None

Oxygen Balance Value (smallest ester group): -248.15

Oxygen Balance Value (largest ester group): -268.04

Potentially Explosive? No

Interpretation of results:
GHS criteria not met
Conclusions:
Based on the information and review of the smallest and largest possible trimethylolpropane esters evaluated, the substance is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.

Description of key information

Regarding explosive properties  a statement based on the molecular structure rather than a full study was considered sufficient to cover these endpoints. The substance is non explosive.

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

Based on the information and review of the smallest and largest possible trimethylolpropane esters evaluated, the substance is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.

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 necessary.