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Physical & Chemical properties

Explosiveness

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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
In accordance with column 2 of REACh Annex VII, the study does not need to be conducted if there are no chemical groups associated with explosive properties present in the molecule.
According to Regulation (EC) N°1272/2008 (CLP) criteria and screening procedure (as listed in appendix 6 to the UN Recommendations on the Transport of Dangerous Goods - Manual of Tests and Criteria (6th revised edition, 2015) or in the ECHA endpoint specific guidance on information requirements (R.7a, v6.0, July 2017, §R.7.1.11), NO REACTIVE GROUP was identified. Then explosive properties are not anticipated, and the acceptance procedure for Class 1 explosives shall not apply, no further testing is required.
The hazard class does not apply.
Endpoint:
explosive properties of explosives
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
1. HYPOTHESIS FOR THE ANALOGUE APPROACH

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)

3. ANALOGUE APPROACH JUSTIFICATION

4. DATA MATRIX

See attached justification document, included in IUCLID Section 13.
Reason / purpose:
read-across source
Reason / purpose:
read-across: supporting information
Remarks:
Read-across justification document
Key result
Parameter:
other: DSC screening test
Remarks on result:
negative (not further specified)
Interpretation of results:
GHS criteria not met
Conclusions:
(from analogue) The target substance is very unlikely to exhibit explosive properties. The acceptance procedure does not apply, and no additional testing is required.
It shall not be classified as explosive according to Regulation (EC) N°1272/2008 (CLP).
Executive summary:

The analogue test substance was investigated for explosive potential according to the screening procedure of UN Recommendations on the Transport of Dangerous Goods. The chemical structure (pure major component) shows no critical group, the Oxygen Balance (pure major component) is below the threshold value of -200, and no exothermic reaction was observed by DSC (technical substance) up to 500°C.

For the target substance, steps 1 and 2 do not consider stereoisomerism, and absence of structural alert in step 1 is sufficient for classification purpose. Moreover, no significant exothermal reaction is anticipated in the most stringent step 3.

Endpoint:
explosive properties of explosives
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 2008-07-17 to 2008-12-18
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
The assessment was conducted according to UN principles, however it is not a full experimental study, but the steps of the screening procedure. Therefore validity applies with restrictions.
Qualifier:
according to
Guideline:
UN Manual of Tests and Criteria: Part I: Classification procedures, test methods and criteria relating to explosives of Class 1
Version / remarks:
Fourth revised edition, 2003
Appendix 6 (screening procedure)
GLP compliance:
no
Parameter:
other: DSC screening test
Remarks on result:
negative (not further specified)

Reactive groups

The appraisal of the molecular structure indicates no risk of rapid decomposition.

Oxygen Balance

Based on the molecular formula of C16H28O and a molecular weight of 236.40 g/mol, the oxygen balance is about -305, which is below the limit of -200 and thus not indicating the necessity of experimental testing.

Calorimetric tests

There was no exothermic peak found. Thus the decomposition energy does not exceed the UN limit of 500 J/g.

It can be concluded beyond a reasonable doubt, that the test substance is not a potential explosive and does not have a potential for rapid energy release. Nevertheless, this judgement is in respect to classification; it does not necessarily mean that any processing hazard can be discounted.

Interpretation of results:
GHS criteria not met
Conclusions:
The test substance is very unlikely to exhibit explosive properties. The acceptance procedure does not apply, and no additional testing is required.
It shall not be classified as explosive according to Regulation (EC) N°1272/2008 (CLP).
Executive summary:

The test substance was investigated for explosive potential according to the screening procedure of UN Recommendations on the Transport of Dangerous Goods. The chemical structure (pure major component) shows no critical group, the Oxygen Balance (pure major component) is below the threshold value of -200, and no exothermic reaction was observed by DSC (technical substance) up to 500°C.

Description of key information

Testing for explosive properties, according to CLP criteria, waived based on screening procedures (study scientifically unjustified).

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

In accordance with column 2 of REACh Annex VII, the study does not need to be conducted if there are no chemical groups associated with explosive properties present in the molecule.

A reliable expert statement was provided for the determination of explosive properties on a mixture of two stereoisomers, and no additional testing is required according to Regulation (EC) N°1272/2008 (CLP) criteria. For the present dossier regarding another similar stereoisomer (asymmetric carbons), read-across is justified as the first step of the screening procedure cannot distinguish between stereoisomers, and is sufficient. Moreover, calculation of oxygen balance (not isomer-specific either), and absence of exothermal decomposition up to 500°C conducted on the analogue, supports the low potential for explosive properties.

Justification for classification or non-classification

The substance is NOT classified as explosive according to CLP criteria, based on screening procedures : structural formula (absence of critical groups, very low oxygen balance), and no exothermal decomposition anticipated (from analogue) up to 500°C.