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Diss Factsheets

Physical & Chemical properties

Explosiveness

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Link to relevant study record(s)

Reference
Endpoint:
explosive properties of explosives
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties
Justification for type of information:
The prediction was undertaken using a procedure designed to be compatible with Method A.14 Explosive Properties of Commission Regulation (EC) No 440/2008 of 30 May 2008

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 data are contained in the following Study Report:

Title : 2-methylene-1, 3-propanediol diacetate (CAS: 3775-29-9): Determination of Hazardous Physico-Chemical Properties

Report No.: VJ32PR

Author: Envigo Research LImited, Shardlow, Derbyshire, DE72 2GD, UK.

Data Owner: Kuraray C., Ltd.
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.14 (Explosive properties)
Conclusions:
Based on the chemical structure of the test item the result for the explosive properties has been predicted negative
Executive summary:

The hazardous physico-chemical properties of 2-methylene-1, 3-propanediol diacetate  (CAS: 3775-29-9) have been determined.

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.

Description of key information

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

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

Justification for classification or non-classification

There are no chemical groups present in a structue which are associated with explosiveness.