Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
2010
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

Constituent 1
Chemical structure
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

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.