Registration Dossier
Registration Dossier
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5,11,17,23,29,35,41,47-octa-tert-butyl-49,50,51,52,53,54,55,56-octahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶,26λ⁶,32λ⁶,38λ⁶,44λ⁶-octathianonacyclo[43.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹.1²¹,²⁵.1²⁷,³¹.1³³,³⁷.1³⁹,⁴³]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21(53),22,24,27,29,31(52),33,35,37(51),39(50),40,42,45,47-tetracosaene-2,2,8,8,14,14,20,20,26,26,32,32,38,38,44,44-hexadecone; 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶-tetrathiapentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-2,2,8,8,14,14,20,20-octone
EC number: 481-490-7 | CAS number: -
Explosiveness
Administrative data
- Endpoint:
- explosiveness
- Type of information:
- other: Statement
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study has been performed according to EC guidelines and according to GLP principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 007
- Report date:
- 2007
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: EEC-Directive 92/69 EEC, Part A, A.14 "Explosive properties", December 1992. (Body responsible: NOTOX SAFETY & ENVIRONMENTAL RESEARCH B.V. 5203 DL 'S-HERTOGENBOSCH)
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- -
- EC Number:
- 481-490-7
- EC Name:
- -
- Molecular formula:
- multi-constituent.
- IUPAC Name:
- 5,11,17,23,29,35,41,47-octa-tert-butyl-49,50,51,52,53,54,55,56-octahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶,26λ⁶,32λ⁶,38λ⁶,44λ⁶-octathianonacyclo[43.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹.1²¹,²⁵.1²⁷,³¹.1³³,³⁷.1³⁹,⁴³]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21(53),22,24,27,29,31(52),33,35,37(51),39(50),40,42,45,47-tetracosaene-2,2,8,8,14,14,20,20,26,26,32,32,38,38,44,44-hexadecone; 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶-tetrathiapentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-2,2,8,8,14,14,20,20-octone
- Details on test material:
- - Name of test material (as cited in study report): TC4ASO2
- Substance type: multi-constituent
- Physical state: white powder
- Analytical purity: 97.8%
- Composition of test material, percentage of components: 92.9% 4-tert-Butylsulfonylcalix(4)arene (CAS 204190-49-8)
4.9% 4-tert-Butylsulfonylcalix(8)arene
- Lot/batch No.: AYUI-1Y
- Expiration date of the lot/batch: 07 October 2007
- Stability under storage conditions: Stable
- Storage condition of test material: At room temperature in the dark
Constituent 1
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:
- negative (not further specified)
Any other information on results incl. tables
EC A.14 (Statement):
Using C40H48O12S4as
molecular formula and 849.06 g/mol as molecular weight, the oxygen
balance for this major component was calculated to be –188 %.Using
C80H96O24S8as molecular
formula and 1698.12 g/mol as molecular weight, the oxygen
balance for this minor component was calculated to be –188 %. The oxygen
balance is for both components > –200% and therefore within the region
where there may be a potential for explodability. However,
the molecular structures of the test substance do not contain any
chemically instable or highly energetic groups that might lead to an explosion. There are no plosophores (bond
groupings known to give explosive properties) or auxoploses (explosive enhancing groups) present in the structure. The
relatively high oxygen balance (-188%) is considered due to the presence of a sulfonyl group in the molecule. Overall
consideration of the properties does not suggest a risk of explodability.
Applicant's summary and conclusion
- Conclusions:
- The test substance is not explosive.
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