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Link to relevant study record(s)

Reference
Endpoint:
explosive properties of explosives
Type of information:
experimental study
Adequacy of study:
key study
Study period:
This study was conducted between 21 July 2016 and 26 July 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Performance of the Prediction
The structure of the test item was assessed for chemical groups that imply explosive properties.  Examples of such groups are C-C unsaturated, C-metal, N-metal, contiguous oxygen atoms, contiguous nitrogen atoms, N-halogens, O-halogens, N-O.  Examples of these groups are given below.
Structural Features              Examples
C-C unsaturated                     Acetylenes, acetylides, 1,2 - dienes
C-metal, N-metal                   Grignard reagents, organo-lithium compounds
Contiguous oxygen atoms       Peroxides, ozonides
Contiguous nitrogen atoms      Azides, aliphatic azo compounds, diazonium salts, hydrazines, sulphonyl hydrazides
N-halogens                            Chloramines, fluoroamines
O-halogens                            Chlorates, perchlorates, iodosyl compounds
N-O                                      Hydroxylamines, nitrates, nitro compounds, N oxides, 1,2-oxazoles
Full structural details are given in Bretherick’s Handbook of Reactive Chemical Hazards, 7th Edition, Academic Press, 2007.

Data Evaluation
If there are no structural alerts within the structure then the explosive properties can be predicted negative.

Results
There are no structural alerts within the chemical structure of the test item.

Conclusion
Based on the chemical structure of the test item the result for the explosive properties has been predicted negative.

The information is contained in the following report:

Title:FRET 10-0367: Determination of Hazardous Physico-Chemical Properties
Report No.: GL02BN
Sponsor Name: International Flavors & Fragrances, Inc.
Issue Date:17 November 2016
Testing Facility: Envigo Research Limited, Shardlow, Shardlow, Derbyshire, DE72 2GD, UK

Qualifier:
according to
Guideline:
EU Method A.14 (Explosive properties)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Key result
Test series:
other: EU Commission Regulation No 440/2008
Method:
other: Method A.14
Parameter:
other: Prediction based on chemical structure
Result:
negative, no explosion
Remarks on result:
other: Based on the chemical structure of the test item the result for the explosicve propertries has been predicted negative
Interpretation of results:
GHS criteria not met
Conclusions:
Explosive Properties of the test material Fret 10-0367 were predicted negative based on the chemical structure, using a procedure designed to be compatible with Method A.14 Explosive Properties of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Description of key information

Based on the chemical structure of the test item, the result for the explosive properties has been predicted negative, using a procedure designed to be compatible with Method A.14 Explosive Properties of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

Justification for classification or non-classification

Explosive Properties. Predicted negative based on the chemical structure, using a procedure designed to be compatible with Method A.14 Explosive Properties of Commission Regulation (EC) No 440/2008 of 30 May 2008. Based on this result, classification is not neccessary.