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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
explosive properties of explosives
Type of information:
calculation (if not (Q)SAR)
Remarks:
Calculation of oxygen balance and comparison of structural formula against molecular groups of concern
Adequacy of study:
key study
Study period:
2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Qualifier:
no guideline required
Principles of method if other than guideline:
The oxygen balance was 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:
yes (incl. QA statement)
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Trade name: Azuril
- Substance name: Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile
- Substance CAS No. 68084-04-8/21690-43-73 of 9

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: not specified

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: not specified
Key result
Test series:
other: not specified
Method:
other: not specified
Parameter:
other: Structural group evaluation and oxygen balance
Result:
negative, no explosion
Remarks on result:
other: oxygen balance <-200. Chemical structures contains no alerts for explosive potential
Remarks:
The substance is predicted to be mot explosive.
Interpretation of results:
GHS criteria not met
Conclusions:
Based on the results, the test substance Azuril (Reaction mass of 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile and 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile) is not predicted to have explosive properties.
Executive summary:

The aim of this study was to determine the explosive properties of the test substance Azuril. Two constituents of Azuril were assessed for their oxygen balance, which was both <200. The chemical structure of the test substance was also investigated and was found to have no chemical structures with explosive potential. Based on the results of this study, the test substance Azuril was predicted to not be explosive.

Description of key information

The aim of this study was to determine the explosive properties of the test substance Azuril. Two constituents of Azuril were assessed for their oxygen balance, which was both <200. The chemical structure of the test substance was also investigated and was found to have no chemical structures with explosive potential. Based on the results of this study, the test substance Azuril was predicted to not be explosive.

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

Justification for classification or non-classification