Acetic acid, 2,2-difluoro-2-[[2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]-, ammonium salt (1:1)

Explosiveness

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

explosive properties of explosives

Type of information:

other: Expert assessment

Adequacy of study:

supporting study

Study period:

From 11 Nov. 2009 to 17 Feb. 2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: expert assessment based on guideline criteria and generally accepted scientific principles.

Qualifier:

according to guideline

Guideline:

other: UN Recommendations on the Transport of Dangerous Goods (Manual of Tests and Criteria, Fourth revised edition, 2003, Appendix 6, “Orange Book”)

Deviations:

no

Principles of method if other than guideline:

A set of criteria is compiled to identify materials being potential explosives.

GLP compliance:

no

Remarks:

Estimation method, thus GLP criteria not applicable.

Reactive Groups

The appraisal of the molecular structure indicates no risk of rapid decomposition.cC6O4 does not contain any of the structural features mentioned in the UN Recommendations. The occurrence of other chemical groups associate with explosive properties as described in literature was also considered. No such groups were present.

The halogen atoms are only linked directly to Carbon atoms and therefore do not indicate explosive properties.

Oxygen Balance

The oxygen balance is not considered relevant for the evaluation of the explosive properties of this substance as it is not adequately characterized by taking into account carbon, hydrogen and oxygen only and omitting fluorine.

Calorimetric Test

The exothermic decomposition energy was determined using Differential Scanning Calorimetry in a closed, gold plated high pressure vessel (DSC). The result is show in figure 1 (as attachment).

Two exothermic peaks were found between 25°C and 500°C.

The calorimetric test is of special importance for the evaluation of compounds containing chemical groups associated with explosive properties. The decomposition energy (determined between room temperature and 500°C) was found to be about 244 J/g thus being far below the UN limit of 500J/g. The onset points of the exothermic peaks were at about 198 °C and 358°C).

Interpretation of results:

GHS criteria not met

Conclusions:

Based on the absence of Reactive Groups and Calorimetric Test cC6O4 ammonium salt is not to be classified as explosive material and no experimental determination according to EC test guideline A.14 has to be performed.
The results of the Oxygen Balance is not considered relevant for this substance as this substance is not adequately characterized by taking into account carbon, hydrogen and oxygen only and omitting fluorine.

Executive summary:

The purpose of this study was to estimate the explosive properties of cC6O4 ammonium salt based on the UN Reccomendations on the Transport of Dangerous Goods (Manual of tests and Criteria, fourth revised edition, 2003, Appendix 6, "Orange Book") where a set of criteria is compiled to identify materials being potential explosives.

Based on the absence Reactive Groups and Calorimetric Test cC6O4 ammonium salt is not to be classified as explosive material and no experimental determination according to EC test guideline A.14 has to be performed.

The results of the Oxygen Balance is not considered relevant for this substance as this substance is not adequatly characterized by taking into account carbon, hydrogen and oxygen only and omitting fluorine.

Reference 2

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:

JUSTIFICATION FOR DATA WAIVING
The assessment of the explosive properties of cC6O4 ammonium salt was conducted under the Study No. C66345 " Determination of the Explosive Properties "(2010).
The purpose of the study was to estimate the explosive properties of cC6O4 ammonium salt based on the UN Reccomendations on the Transport of Dangerous Goods (Manual of tests and Criteria, fourth revised edition, 2003, Appendix 6, "Orange Book") where a set of criteria is compiled to identify materials being potential explosives.

Reactive Groups:
The appraisal of the molecular structure indicates no risk of rapid decomposition.cC6O4 does not contain any of the structural features mentioned in the UN Recommendations. The occurrence of other chemical groups associate with explosive properties as described in literature was also considered. No such groups were present.
The halogen atoms are only linked directly to Carbon atoms and therefore do not indicate explosive properties.

Oxygen Balance:
The oxygen balance is not considered relevant for the evaluation of the explosive properties of this substance as it is not adequately characterized by taking into account carbon, hydrogen and oxygen only and omitting fluorine.

Calorimetric Test:
The exothermic decomposition energy was determined using Differential Scanning Calorimetry in a closed, gold plated high pressure vessel (DSC).
Two exothermic peaks were found between 25°C and 500°C.
The calorimetric test is of special importance for the evaluation of compounds containing chemical groups associated with explosive properties. The decomposition energy (determined between room temperature and 500°C) was found to be about 244 J/g thus being far below the UN limit of 500J/g. The onset points of the exothermic peaks were at about 198 °C and 358°C).

In conclusion, based on the absence Reactive Groups and the results of the Calorimetric Test cC6O4 ammonium salt is not to be classified as explosive material and no experimental determination according to EC test guideline A.14 has to be performed.
The results of the Oxygen Balance is not considered relevant for this substance as this substance is not adequatly characterized by taking into account carbon, hydrogen and oxygen only and omitting fluorine.

Reason / purpose for cross-reference:

data waiving: supporting information

Description of key information

The determination of the explosive properties of the test item was performed in accordance with the UN Reccomendations on the Transport of Dangerous Goods (Manual of tests and Criteria, fourth revised edition, 2003, Appendix 6, "Orange Book") where a set of criteria is compiled to identify materials being potential explosives. Based on the absence of Reactive Groups and the results of the Calorimetric Test cC6O4 ammonium salt is concluded to be not explosive and no experimental determination according to EC test guideline A.14 has to be performed.

Key value for chemical safety assessment

Explosiveness:

non explosive

Justification for classification or non-classification

Based on Reactive Groups and Calorimetric Test cC6O4 ammonium salt is not to be classified as explosive material.