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EC number: 209-963-3 | CAS number: 599-04-2
Explosiveness
Administrative data
- Endpoint:
- explosiveness
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02.09.2009 - 15.10.2009
- Reliability:
- 1 (reliable without restriction)
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- 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
- GLP compliance:
- no
Test material
- Reference substance name:
- α-hydroxy-β,β-dimethyl-γ-butyrolactone
- EC Number:
- 209-963-3
- EC Name:
- α-hydroxy-β,β-dimethyl-γ-butyrolactone
- Cas Number:
- 599-04-2
- Molecular formula:
- C6H10O3
- IUPAC Name:
- (3R)-3-hydroxy-4,4-dimethyloxolan-2-one
- Reference substance name:
- 209 963 3
- IUPAC Name:
- 209 963 3
- Details on test material:
- - Name of test material (as cited in study report): R-Pantolactone
- Physical state: solid
- Stability under test conditions: stable
- Storage condition of test material: RT (20°C)
Constituent 1
Constituent 2
Results and discussion
Small-scale preliminary testsopen allclose all
- Parameter:
- other: More sensitive to shock than m-dinitrobenzene
- Remarks:
- migrated information
- Remarks on result:
- not measured/tested
- Parameter:
- other: More sensitive to friction than m-dinitrobenzene
- Remarks:
- migrated information
- Remarks on result:
- not measured/tested
- Parameter:
- other: Explosive under influence of flame
- Remarks:
- migrated information
- Remarks on result:
- not measured/tested
- Parameter:
- other: Explosive (not specified)
- Remarks:
- migrated information
- Remarks on result:
- not measured/tested
Any other information on results incl. tables
The appraisal of the molecular structure indicates no risk of rapid decomposition. R-Pantolactone
does not contain any of the structural features mentioned in the UN Recommendations. The
occurrence of other chemical groups associated with explosive properties as described in the
literature1 was also considered. No such groups were present.
The oxygen balance was calculated using the equation given in the UN Recommendations.
Based on the molecular formula of C6H10O3 and a molecular weight of 130 g/mol, the oxygen
balance is about -172, which is above the limit of 200.
The calorimetric test is of special importance for the evaluation of compounds containing chemical groups associated with explosive properties. The decomposition energy (¿HDec determined between room temperature and 500 °C) was found to be about 27 J/g thus being far below the UN limit of 500 J/g. The onset point of the exothermic peak was at about 197°C.
1 L. Bretherick: Handbook of Reactive Chemical Hazards, London, Butterworth, 1979
Applicant's summary and conclusion
- Conclusions:
- R-Pantolactone is not to be classified as explosive material and no experimental determination according to the EC test guideline A.14
has to be performed. - Executive summary:
Based on the results above, R-Pantolactone is not to be classified as
explosive material and no experimental determination according to the EC test guideline A.14
has to be performed. Although the result of Section 3.2 (oxygen balance) is above the given limit
the deviation is small. Given the fact that all other criteria for R-Pantolactone being an explosive
material are negative, an experimental determination according to the EC test guideline A.14 has
not to be performed.
Thus it can be concluded beyond a reasonable doubt, that R-Pantolactone is not a potential
explosive and does not have a potential for rapid energy release. Nevertheless, this judgment is
in respect to classification; it does not necessarily mean that any processing hazards can be
discounted.
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