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Physical & Chemical properties

Oxidising properties

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Endpoint:
oxidising liquids
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied
Endpoint:
oxidising liquids
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Justification for type of information:
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The source substance is the racemic form of the target substance d-tetramethrin. Tetramethrin does consist of 50% d- and l-form, and both do exist as cis and trans isomers. Hence, the target substance does consist of d-cis-tetramethrin, d-trans-tetramethrin, l-cis-tetramethrin and l-trans-tetramethrin, whereas the target substance only contains the first two (i.e. d-cis-tetramethrin, d-trans-tetramethrin).
Both, the source as well as the target substance, do have a cis/trans ratio of approximately 1/4 and obviously do share same molecular mass and other properties. Thus, the source substance by definition does contain ~50% of the d-form and the l-form is not expected to be significantly different with respect to its oxidising behaviour. Oxidising properties on racemic tetramethrin was assessed in silico using a computer model starting from Smiles code as input. As the Smiles code is not stereospecific, the findings are fully representative also for the enantiomers such as d-tetramethrin. Hence, it can be reasonably assumed that the d-tetramethrin will not be critical with respect to oxidising properties.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The d-tetramethrin with a purity > 80 % does contain its corresponding l-form as an impurity in the range of < 7%, other impurities from the manufacturing process are individually below 1% (w/w) each. The source substance that has been tested was having a purity of approx. 98% as tetramethrin with a cis/trans ratio of 1/4 and a d-form/l-form ratio of ~50/50.
3. ANALOGUE APPROACH JUSTIFICATION
Source and Target substance do share identical structure and molecular weight, only differentiating by the fact that the source substance is a racemic mixture, whereas the target substance represents almost pure d-form. Thus, physico-chemical parameters, not being affected significantly by stereochemistry, are fully comparable, thus justifying using available data on oxidising properties on the racemic form for supportive read-across to the d-enantiomer.
4. DATA MATRIX
Composition comparison
D-tetramethrin (target) tetramethrin (source)
D-trans tetramethrin 70 - 80% 40 – 50%
D-cis tetramethrin 10 - 20% 7 – 11 %
L-trans tetramethrin 0 – 5% 35 – 40%
L-cis tetramethrin 0 – 2% 7 – 11%
Reason / purpose:
read-across source
Sample tested:
other: based on calculation
Parameter:
preliminary test
Remarks on result:
other: tetramethrin does not exhibit an oxidizing behaviour, according to the thermodynamic data obtained
Interpretation of results:
GHS criteria not met
Conclusions:
Tetramethrin is not expected to exhibit oxidising behaviour, according to the thermodynamic data obtained, based on calculations starting from SMILES code of the molecule, not being stereoselective. Thus the data, originally generated for the racemic tetramethrin are als representative for d-tetramethrin..

Description of key information

The study for oxidising properties of liquids does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.

Key value for chemical safety assessment

Oxidising properties:
non oxidising

Additional information

Justification for classification or non-classification

According to CLP (Regulation (EC) No 1272/2008) a substance is not subject to classification as an oxidising liquid if it does only contain oxygen, fluorine and chlorine and these elements are chemically bonded only to carbon or hydrogen (Annex II, 2.13.4.1 (b)). As d-tetramethrin contains only oxygen (as ester and ketone) and no fluorine or chlorine, the substance is not expected to be oxidising and thus not subject to classification for oxidising properties, accordingly.