Reaction mass of 1,4-bis[(2-ethylhexyl)amino]-9,10-dihydroanthracene-9,10-dione and 1-(butylamino)-4-[(2-ethylhexyl)amino]-9,10-dihydroanthracene-9,10-dione and 1-[(2-ethylhexyl)amino]-4-(methylamino)-9,10-dihydroanthracene-9,10-dione

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosiveness

Type of information:

calculation (if not (Q)SAR)

Remarks:

Estimated by calculation

Adequacy of study:

key study

Study period:

January 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Follows sound scientific evaluation based on structure and oxygen balance.

Qualifier:

according to guideline

Guideline:

other: Scientific evaluation based on structure and oxygen balance

Principles of method if other than guideline:

The oxygen balance is calculated from the empirical formula of the compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide, hydrogen to water and metal to metal oxide. A structural evaluation determines the explosiveness potential on the presence or absence of known molecular groups which have explosive potential.

GLP compliance:

no

Remarks:

Conducted in compliance with ISO 9001

Other quality assurance:

other: ISO 9001

Key result

Parameter:

other: Explosive (not specified)

Remarks on result:

negative (not further specified)

Substances that are explosive contain molecular groups which have explosive properties. Examples include:

-Nitro compounds

-Nitric Esters

-Nitramines

-Derivatives of chloric and perchloric acids

-Azides

-Acetylides

-Fulminates

-Ozinides

-Peroxides

-Nitrogen rich compounds – e.g. tetrazene.

The substance contains none of these groups.

This substance is a multiconstiuent. The oxygen balance value of each of the components of the substance was calculated. The values ranged from -254.6 to -273.19. This is not indicative of the potential to be explosive.

Interpretation of results:

non explosive

Conclusions:

The substance is deemed not to be explosive, based on the chemical structure and oxygen balance of the components ranging between -254.6 to -273.19

Executive summary:

Calculation based on structure and oxygen balance was carried out and determined that the substance was not potentially explosive. In accordance with EU-REACH regulations no further study needs to be carried out.

Description of key information

Review of chemical structure and calculation of oxygen balance for assessment of explosive properties

Key value for chemical safety assessment

Explosiveness:

non explosive

Justification for classification or non-classification

The substance is deemed not to be explosive, based on the chemical structure and oxygen balance of the components ranging between  -254.6 to -273.19