Registration Dossier

Diss Factsheets

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
oxidising solids
Type of information:
other: Structural assessment
Adequacy of study:
key study
Study period:
Not specified
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
The oxidising properties of the test material were investigated with a structural assessment. The test material was examined for structural groups which were indicative of oxidising properties and the oxygen balance was also calculated.
GLP compliance:
no
Remarks:
No laboratory work was performed, GLP is therefore not required.
Specific details on test material used for the study:
- Oxygen balance value: -243.17
Key result
Sample tested:
other: test material
Parameter:
other: structural assessment
Remarks on result:
other: The test material is deemed not to be potentially oxidising, based on the structure and oxygen balance values

STRUCTURAL GROUP EVALUATION (Present in the test material = yes or no)

- Peroxides: R-C(O)-O-O-C(O)-R = No

- Nitrates (salts or esters): NO3- M+ , O2N-O-R = No

- Nitrites (salts or esters): NO2- M+, , ON-O-R = No

- Organic nitro compounds = No

- Nitroalkyl: NO2-R = No

- Nitroaryl: NO2-Ar = No

- Fluorodinitro: F(NO2)2-C- =No

- Metal oxides: MOn = No

- Metal oxometallates: M+ MOn- = No

- N-Halogen compounds: N-X = No

- N-Haloimides: -C(O)-NX-C(O)- = No

- Difluoroamino: .-NF2 = No

- Difluoroaminopolynitroaryl: (NO2)n-Ar-NF2 = No

- Oxohalogen compounds = No

- Acyl hypohalites: RC(O)-OX = No

- Hypofluorites: FO- = No

- Bis(fluoroxy)perhaloalkanes: F3CCl(OF)2 etc = No

- Perchlorates: ClO4- = No

- Chlorates: ClO3- = No

- Chlorites: ClO2- = No

- Hypochlorites: ClO- = No

- Perbromates: BrO4- = No

- Bromates: BrO3- = No

- Bromites: BrO2- = No

- Hypobromites: BrO- = No

- Periodates: IO4- = No

- Iodates: IO3- = No

- Difluoroperchloryl salts: F2ClO2+ Z- = No

- Dioxygenyl polyfluorosalts: O2 + [MFn]- or O2+ [EFn]- = No

- Interhalogen compounds = No

- Metal polyhalohalogenates: M+ [XX'n]- = No

 

Based on structural groups, the test material is not potentially oxidising.

 

OXYGEN BALANCE (OB) CALCULATOR

OB % = (-1600 / Mol.wt of test material) x (2X + (Y/2) + M-Z)

X = number of atoms of carbon, Y = number of atoms of hydrogen, Z = number of atoms of oxygen, and M = number of atoms of metal (metallic oxide produced).

 

From Molecular Formula

No. of atoms

Atomic weight

Total Molecular Mass

Carbon

23

12.011

276.253

Hydrogen

28

1.0079

28.2212

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

Metal Ion 1

0

0

0

 

Substance molecular weight = 368.4718

Oxygen Balance (%) = -243.17

Potentially Oxidising based on positive OB? = No

Interpretation of results:
other: Not classified in accordance with EU Criteria
Conclusions:
The test material is deemed not to be potentially oxidising, based on the structure and oxygen balance values.
Executive summary:

A structural assessment of the test material was performed in order to check that oxidising testing is applicable to the test material.

Materials containing epoxide groups are potentially highly reactive, but are not generally known for their oxidising properties, although they react with acids, bases, and oxidizing and reducing agents. They react, possibly violently, with water in the presence of acid and other catalysts.

On the basis of the rule base, the test material contains no structural groups that are indicative of oxidising properties. Compounds where oxygen is are present but the atoms are only bonded to carbon and/or hydrogen, then oxidising properties are generally unlikely. In addition, assessment of the oxygen balance for the test material indicates a negative value.

Based on the structure and oxygen balance values the substance is deemed not to be potentially oxidising.

Description of key information

The test material is deemed not to be potentially oxidising, based on the structure and oxygen balance values.

Key value for chemical safety assessment

Oxidising properties:
non oxidising

Additional information

A structural assessment of the test material was performed in order to check that oxidising testing is applicable to the test material. The data were awarded a reliability score of 2 in accordance with the criteria set forth by Klimisch et al. (1997).

Materials containing epoxide groups are potentially highly reactive, but are not generally known for their oxidising properties, although they react with acids, bases, and oxidizing and reducing agents. They react, possibly violently, with water in the presence of acid and other catalysts.

On the basis of the rule base, the test material contains no structural groups that are indicative of oxidising properties. Compounds where oxygen is are present but the atoms are only bonded to carbon and/or hydrogen, then oxidising properties are generally unlikely. In addition, assessment of the oxygen balance for the test material indicates a negative value.

Based on the structure and oxygen balance values the substance is deemed not to be potentially oxidising.

Justification for classification or non-classification

In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No 1272/2008, the substance does not require classification with respect to oxidising properties.