Oxirane, 2,2'-[methylenebis[(2,6-dimethyl-4,1-phenylene)oxymethylene]]bis-

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

Type of information:

other: Structural assessment

Adequacy of study:

key study

Study period:

Not specified

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Qualifier:

no guideline followed

Principles of method if other than guideline:

The explosive potential of the test material was investigated with a structural assessment. The test material was examined for structural groups which are potentially highly reactive and the oxygen balance was also calculated.

GLP compliance:

no

Remarks:

No laboratory work was performed, therefore GLP is not required.

Specific details on test material used for the study:

- Oxygen balance value: -243.17

Key result

Test series:

other: Structural assessment

Method:

other: Structural group evaluation and oxygen balance calculation

Parameter:

other: Structural groups and oxygen balance

Result:

other: Based on structural groups, the test material is potentially explosive, however since the calculated oxygen balance is less than –200 the test material is not predicted to be explosive.

Remarks on result:

other: Not potentially explosive

STRUCTURAL GROUP EVALUATION (present in the test material = yes or no)

Inorganic and organic peroxides:-O-O- = No

Epoxides: R-C(O)C-R = Yes

Inorganic and organic Ozinide: -O-O-O- = No

Inorganic and organic chlorates:-OClO2 = No

Inorganic and organic perchlorates: -OClO3 = No

Where X is a halogen: -N-X2 = No

Inorganic and organic nitro compounds: R-ON=O, -ONO2 = No

Inorganic and organic nitroso compounds: R-N=O, R2-N-N=O = No

Azo:-N=N- = No

Diazo: R-N2 = No

Azides: -N=N=N- = No

Tetrazole: R-N=N-N=N-R = No

Triazene: R-N=N-N-R = No

Fulminates: .-C=N-O-M = No

Acetylene and metal acetylides: R-C≡C- , -C≡C-M = No

Metal alkyl: M-C = No

 

Based on structural groups the test material is potentially explosive.

 

 

 

OXYGEN BALANCE (OB) CALCULATOR

OB % = (-1600 / Mol.wt of test material) x (2X + (Y/2) + M-Z)

X = number of atoms of carbon, Y = number of atoms of hydrogen, Z = number of atoms of oxygen, and M =number of atoms of metal (metallic oxide produced).

 

From Molecular Formula	No. of atoms	Atomic weight	Total Molecular Mass
Carbon	23	12.011	276.253
Hydrogen	28	1.0079	28.2212
Oxygen	4	15.9994	63.9976
Nitrogen	0	14.0067	0
Sulphur	0	32.06	0
Fluorine	0	18.998403	0
Chlorine	0	35.453	0
Bromine	0	79.904	0
Iodine	0	126.9045	0
Phosphorus	0	30.97376	0
Metal Ion 1	0	0	0

 

Substance molecular weight = 368.4718

Oxygen Balance (%) = -243.17

Potentially Oxidising based on positive OB? = No

Interpretation of results:

other: Not classified in accordance with EU Criteria

Conclusions:

The test material is deemed not to be potentially explosive, based on the calculated oxygen balance value of -243.17.

Executive summary:

The explosive potential of the test material was investigated with a structural assessment.

Materials containing epoxide groups are potentially highly reactive. They polymerise in the presence of catalysts or when heated. These polymerisation reactions can be violent. Epoxides are known to react with acids, bases, and oxidising and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts. The test material does contain epoxide groups that can be indicative of explosive properties. However REACH states that should a substance contain chemical groups associated with explosive properties which include oxygen but has a calculated oxygen balance is less than –200 then the substance is not predicted to be explosive.

Based on the calculated oxygen balance value of -243.17 the test material is deemed not to be potentially explosive.

Description of key information

The test material is deemed not to be potentially explosive, based on the calculated oxygen balance value of -243.17.

Key value for chemical safety assessment

Explosiveness:

non explosive

Additional information

The explosive potential of the test material was investigated with a structural assessment. The data were awarded a reliability score of 2 in accordance with the criteria set forth by Klimisch et al. (1997).

Materials containing epoxide groups are potentially highly reactive. They polymerise in the presence of catalysts or when heated. These polymerisation reactions can be violent. Epoxides are known to react with acids, bases, and oxidising and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts. The test material does contain epoxide groups that can be indicative of explosive properties. However REACH states that should a substance contain chemical groups associated with explosive properties which include oxygen but has a calculated oxygen balance is less than –200 then the substance is not predicted to be explosive.

Based on the calculated oxygen balance value of -243.17 the test material is deemed not to be potentially explosive.

Justification for classification or non-classification

In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No 1272/2008, the substance does not require classification with respect to explosive properties.