Registration Dossier
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EC number: 945-453-3 | CAS number: -
Phototransformation in air
Administrative data
Link to relevant study record(s)
Description of key information
After evaporation or exposure to the air, the reaction product of 2,4-Dinitrotoluene and 2,6-Dinitrotoluene and hydrogen, deaminated (EC 943 -517 -5) will be rapidly degraded by photochemical processes.
Key value for chemical safety assessment
- Half-life in air:
- 6.7 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
QSAR-disclaimer:
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of reaction product of 2,4-Dinitrotoluene and 2,6-Dinitrotoluene and hydrogen, mono-deaminated (MCHAmix, EC 939-489-9) (Q)SAR results were used for phototransformation in air. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, further experimental studies on phototransformation in air are not provided.
Assessment:
The photodegradation was calculated for 2-Methylcyclohexylamine (CAS 7003-32-9) and 4-Methylcyclohexylamine (CAS 6321-23-9) which are representative constituents of the reaction product of 2,4-Dinitrotoluene and 2,6-Dinitrotoluene and hydrogen, deaminated (MCHAmix, EC 943 -517 -5).
AOPWIN does not distinguish between the chemical structures of the two source substances; therefore, the QSAR results are identical.
Based on an estimated OH radical rate constant of 5.71E-12 cm³/(molecule*sec), the half-life of the constituents was calculated to be 6.7 h (test conditions: sensitizer for indirect photolysis: OH; 0.5 E06 OH/cm³, 24-h day) (BASF SE, 2015/2016). Both substances were within the applicability domain of the model (AOPWIN v1.92, EPISuite v4.11, BASF SE, 2016/2018).
Therefore, after evaporation or exposure to the air, MCHAmix (EC 943 -517 -5) will be rapidly degraded by photochemical processes.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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