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Diss Factsheets

Physical & Chemical properties

Explosiveness

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Administrative data

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:4,4'-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with ethylenediamine: Determination of Hazardous Physico-Chemical Properties

Report No.: DK26BP

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

Data Owner: Huntsman Advanced Materials (Europe) BVBA

Issue Date: 24 February 2017

Data source

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
EDA-BADGE-EDA
Cas Number:
854009-15-7
Molecular formula:
C25H40N4O4
IUPAC Name:
EDA-BADGE-EDA
Constituent 2
Chemical structure
Reference substance name:
EDA-BADGE-EDA-BADGE-EDA
Molecular formula:
C48H72N6O8
IUPAC Name:
EDA-BADGE-EDA-BADGE-EDA
Constituent 3
Chemical structure
Reference substance name:
EDA-BADGE α-glycol
Molecular formula:
C23H34N2O5
IUPAC Name:
EDA-BADGE α-glycol
Constituent 4
Reference substance name:
reaction product of 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane and ethylene diamine
IUPAC Name:
reaction product of 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane and ethylene diamine
Constituent 5
Reference substance name:
Unidentified reaction product of 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane and ethylene diamine
IUPAC Name:
Unidentified reaction product of 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane and ethylene diamine
Test material form:
liquid: viscous

Results and discussion

Applicant's summary and conclusion

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 4,4'-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with ethylenediamine 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.