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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Any other information on results incl. tables

Group Identity Present?
R-C(O)-O-O-C(O)-R Peroxides No
NO3-M+, 02N-0-R Nitrates (salts or esters)  No
NO2-M+, , ON-0-R Nitrites (salts or esters)  No
   Organic nitro compounds  No
NO2-R Nitroalkyl  No
NO2-Ar Nitroaryl  No
F(NO2)2-C- Fluorodinitro No
MOn Metal oxides No
M+MOn- Metal oxometallates  No
N-X  N-Halogen compounds  No
-C(O)-NX-C(O)- N-Haloimides  No
.-NF2 Difluoroamino No
(NO2)n-Ar-NF2 Difluoroaminopolynitroaryl  No
   Oxohalogen compounds:  No
RC(O)-OX  Acyl hypohalites  No
FO-  Hypofluorites  No
F3CCI(OF)2etc  Bis(fluoroxy)perhaloalkanes  No
CIO4- Perchlorates  No
CIO3- Chlorates  No
CIO2- Chlorites  No
CIO-  Hypochlorites  No
BRO4-  Perbromates  No
BrO3-  Bromates  No
BrO2-  Bromites  No
BrO-  Hypobromites  No
IO4-  Periodates  No
IO3-  Iodates  No
F2CIO2+Z- Difluoroperchloryl salts  No
O2+[MFn]-or O2+[EFn]-  Dioxygenyl polyfluorosalts  No
   Interhalogen compounds:  No
M+[XX'n]-  Metal polyhalohalogenates  No

Based on structural groups, is the substance potentially oxidising? 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 (%) =  -211.67
Potentially Oxidising based on positive OB? 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 (%) =  -301.53
Potentially Oxidising based on positive OB? No

Applicant's summary and conclusion

Interpretation of results:
other: no oxidising properties
Remarks:
Migrated information
Conclusions:
Based on the information and review of the above substance, it is deemed not to be potentially oxidising, based on the chemical structure and oxygen balance
Executive summary:

The oxidising 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 oxidising properties. It is therefore predicted that the substance does not possess oxidising properties and it is therefore considered not scientically justified to conduct a full study.