[No public or meaningful name is available]

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

Type of information:

calculation (if not (Q)SAR)

Remarks:

Estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The explosiveness of the test substance was estimated via an assessment based on an examination of the molecular structure and composition of the substance and relevant experimental data.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Explosiveness was predicted based on an assessment of the chemical structure of the substance.

GLP compliance:

no

Remarks:

Calculation based method. GLP not relevant.

Key result

Parameter:

other: Analysis of structure and functional groups

Remarks on result:

other: Does not require classification

Functional group (examples)	Comments/conclusions
C – C unsaturation (acetylenes, acetylides, 1,2-dienes)	Not present
C – Metal and N – Metal bonds (Grignard reagents, organo-lithium compounds)	Not present
Contiguous N atoms (azides, aliphatic azo compounds, diazonium salts, hydrazines)	Not present
Contiguous O atoms (peroxides, ozonides)	Not present
N – O bonds (hydroxylamines, nitrates, nitro compounds, nitroso compounds, N-oxides)	Not present
N – Halogen bonds (chloramines, fluoroamines)	Not present
O – Halogen bonds (chlorates, perchlorates)	Not present

 

The substance does not contain any metals. Cl- is present but in the form of an trimethylammonium chloride salt which is a functionality not associated with explosive potential. Oxygen and nitrogen are both present in Cinnamidopropyl trimethyl ammonium chloride, however, neither of these atoms are contained within chemical functionality considered to be associated with explosive properties, as stated in section 2.1.4.3. of the CLP Regulation.

 

 

 

Interpretation of results:

other: Non explosive

Conclusions:

It is concluded that Cinnamidopropyl trimethyl ammonium chloride does not have explosive properties and does not require classification for explosive properties.

Executive summary:

Cinnamidopropyl trimethyl ammonium chloride (IUPAC: 1-propanaminium, N,N,N-trimethyl-3-(1-oxo-3-phenyl-2-propenyl)amino-, chloride) was assessed for explosive properties. The assessment is based on an examination of the chemical functionality present within the substance.

 

A screening procedure has been used to assess the explosive properties of Cinnamidopropyl trimethyl ammonium chloride. The following has been taken into consideration:

1) Annex VII of the REACH Regulation ((EC) No 1907/2006), Section 7.11, which states that a study of the explosive properties of a substance need not be conducted if ‘there are no chemical groups associated with explosive properties present within the molecule’.
2) Section 2.1.4.3. of the CLP Regulation covering explosive properties states that a substance or mixture shall not be classified as explosive if:
a) There are no chemical groups associated with explosive properties present in the molecule. Examples of groups which may indicate explosive properties are given in Table A6.1 in Appendix 6 of the UN Recommendations on the Transport of Dangerous Goods, Manual of Test and Criteria; or,
b) The substance contains chemical groups associated with explosive properties which include oxygen and the calculated oxygen balance is less than – 200.
c) When the organic substance or a homogeneous mixture of organic substances contains chemical groups associated with explosive properties but the exothermic decomposition energy is less than 500 J g-1 and the onset of exothermic decomposition is below 500 °C. The exothermic decomposition energy can be determined using a suitable calorimetric technique.
d) For mixtures of inorganic oxidising substances with organic material(s), the concentration of the inorganic oxidising substance is:
i) Less than 15% by mass, if the oxidising substance is assigned to Categories 1 or 2;
ii) Less than 30% by mass, if the oxidising substance is assigned to Category 3.

 

An evaluation of the functionality within the substance has been performed to identify the presence of elements/functionality commonly associated with explosive properties as described in Table A6.1 in Appendix 6 of the UN Recommendations on the Transport of Dangerous Goods, Manual of Test and Criteria.

 

It is concluded that Cinnamidopropyl trimethyl ammonium chloride does not have explosive properties and does not require classification for explosive properties.

Description of key information

It is concluded that Cinnamidopropyl trimethyl ammonium chloride does not have explosive properties and does not require classification for explosive properties.

Key value for chemical safety assessment

Explosiveness:

non explosive