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EC number: 290-636-7 | CAS number: 90194-27-7
Explosiveness
Administrative data
- Endpoint:
- explosiveness
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Recently conducted calculation undertaken by an ISO9001:2008 accredited facility, using the latest methods in accordance with the general fundamental principles of recognised guidelines and deemed scientifically acceptable based on the results
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- The oxygen balance is calculated from the empirical formula of a compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide, hydrogen to water, and metal to metal oxide.
- GLP compliance:
- no
Test material
- Reference substance name:
- Benzenesulfonic acid, C10-60-alkyl derivs., calcium salts
- EC Number:
- 290-636-7
- EC Name:
- Benzenesulfonic acid, C10-60-alkyl derivs., calcium salts
- Cas Number:
- 90194-27-7
- Molecular formula:
- Cannot be adequately determined for this UVCB substance
- IUPAC Name:
- Petroleum, mono C10-60 linear saturated alkaryl derivatised benzenesulphonic acid calcium salts
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:
- other: no data
- Parameter:
- other: More sensitive to friction than m-dinitrobenzene
- Remarks:
- migrated information
- Remarks on result:
- other: no data
- Parameter:
- other: Explosive under influence of flame
- Remarks:
- migrated information
- Remarks on result:
- other: no data
- Parameter:
- other: Explosive (not specified)
- Remarks:
- migrated information
- Remarks on result:
- negative (not further specified)
- Remarks:
- Based on structural alerts and oxygen balance
Any other information on results incl. tables
| Group | Identity | Present? |
| -O-O- | Inorganic and organic peroxides | No |
| R-C(O)C-R | Epoxides | No |
| -O-O-O- | Inorganic and organic Ozinides | No |
| -OClO2 | Inorganic and organic chlorates | No |
| -OClO3 | Inorganic and organic perchlorates | No |
| -N-X2 | Where X is a halogen | No |
| R-ON=O, -ONO2 | Inorganic and organic nitro compounds | No |
| R-N=O, R2-N-N=O | Inorganic and organic nitroso compounds | No |
| -N=N- | Azo | No |
| R-N2 | Diazo | No |
| -N=N=N- | Azides | No |
| R-N=N-N=N-R | Tetrazole | No |
| R-N=N-N-R | Triazene | No |
| .-C=N-O-M | Fulminates | No |
| R-C≡C- , -C≡C-M | Acetylene and metal acetylides | No |
| M-C | Metal alkyl | No |
| Based on structural groups, is the substance potentially explosive? | NO | ||
The oxygen balance was calculated on the predicted smallest and largest structures for the substance to calculate the oxygen balance for the extremes of structure.
Oxygen Balance (OB) Calculator
OB% = -1600 x (2X + (Y/2) + M-Z) Mol.wt of substance
| From Molecular Formula | No of atoms | Atomic weight | Total molecular mass |
| Carbon | 32 | 12.011 | 384.352 |
| Hydrogen | 50 | 1.0079 | 50.395 |
| Oxygen | 6 | 15.9994 | 95.9964 |
| Nitrogen | 0 | 14.0067 | 0 |
| Sulphur | 2 | 32.06 | 64.12 |
| Fluorine | 0 | 18.998403 | 0 |
| Chlorine | 0 | 35.453 | 0 |
| Bromine | 0 | 79.904 | 0 |
| Iodine | 0 | 126.9045 | 0 |
| Phosphorus | 0 | 30.97376 | 0 |
| MW of M | |||
| Calcium | 1 | 40.0784 | 40.0784 |
| Metal Ion 2 | 0 | 0 | 0 |
| Substance Molecular Weight | 634.9418 | ||
| Oxygen Balance (%) = | -211.6729439 | ||
| Potentially Explosive based on OB (< -200%)? | No |
| From Molecular Formula | No of atoms | Atomic weight | Total molecular mass |
| Carbon | 132 | 12.011 | 1585.452 |
| Hydrogen | 250 | 1.0079 | 251.975 |
| Oxygen | 6 | 15.9994 | 95.9964 |
| Nitrogen | 0 | 14.0067 | 0 |
| Sulphur | 2 | 32.06 | 64.12 |
| Fluorine | 0 | 18.998403 | 0 |
| Chlorine | 0 | 35.453 | 0 |
| Bromine | 0 | 79.904 | 0 |
| Iodine | 0 | 126.9045 | 0 |
| Phosphorus | 0 | 30.97376 | 0 |
| MW of M | |||
| Calcium | 1 | 40.0784 | 40.0784 |
| Metal Ion 2 | 0 | 0 | 0 |
| Substance Molecular Weight | 2037.6218 | ||
| Oxygen Balance (%) = | -301.5279872 | ||
| Potentially Explosive based on OB (< -200%)? | No |
Applicant's summary and conclusion
- Interpretation of results:
- non explosive
- Remarks:
- Migrated information
- Conclusions:
- Based on the information and review of the above substance, it is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.
- Executive summary:
The explosive properties of the substance has been assessed by review of the functional groups of the chemical structure and oxygen balance. The substance is considered to contain no functional groups and an oxygen balance that would sustain explosive properties. It is therefore predicted that the substance does not possess explosive properties and it is therefore considered not scientically justified to conduct a full study.
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