Registration Dossier

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:
2011
Report Date:
2011

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
Name:
Unnamed
Type:
Constituent

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 24 12.011 288.264
Hydrogen 48 1.0079 48.3792
Oxygen 4 15.9994 63.9976
Nitrogen 0 14.0067 0
Sulphur 0 32.06 0
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  
Metal Ion 1 - Sn 1 50 50
Metal Ion 2 0 0 0
Substance Molecular Weight 450.6408
Oxygen Balance (%) =  -244.98
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.