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EC number: 807-935-0 | CAS number: 1244733-77-4
The substance Reaction products of phosphoryl trichloride and 2-methyloxirane (TCPP) is an UVCB substance (Substances of Unknown or Variable composition, Complex reaction products or Biological material). Four representative molecular structures of TCPP (constituent groups A – D) were used for the prediction of the rate constant for the atmospheric, gas-phase reaction and atmospheric half-life (constituent group A: CAS no. 13674-84-5, constituent group B: CAS no. 76025-08-6, constituent group C: CAS no. 76649-15-5, constituent group D, CAS no. 6145-73-9). These main constituents are present in TCPP in various concentrations. During manufacture of TCPP no stereo chemical control is applied. Therefore all constituent groups are isomer mixtures.
The calculated half-life of the TCPP constituent groups A-D by photodegradation in air was 0.358 days (constituent group A), 0.426 days (constituent group B), 0.524 days (constituent group C) and 0.681 days (constituent group D) with an Overall OH rate constant of 44.7631 E-12 m³/molecule-sec (constituent group A), 37.6907 E-12 cm3/molecule sec (constituent group B), 30.6183 E-12 cm3/molecule sec (constituent group C) and 23.5459 E-12 cm3/molecule sec (constituent group D).
As the constituent group A exhibits the highest concentration within the substance Reaction products of phosphoryl trichloride and 2-methyloxirane (TCPP) in comparison to the other TCPP constituent groups (B-D), the calculated result for constituent group A is used as key result for chemical safety assessment.
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