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EC number: 941-496-7
CAS number: 1689576-89-3
Measuring the water solubility of MDI substances is technically and practically not feasible due to the low solubility and high reactivity of the NCO group with water. Theoretical values for the water solubility have been calculated from the partition coefficient, which in turn has been estimated based on a group contribution method (US EPA (2012): WSKOWWIN). The highest solubility can be calculated for the substances of the “Monomeric MDI’ subgroup as being 0.82 mg/L, while the value measured by Yakabe (1997) indicate 0.03 mg/L at 22 ± 1°C. All other MDI substances have calculated values several orders of magnitude lower compared to the ‘Monomeric MDI’ subgroup and as these consist of several constituents with varying low calculated water solubilities, they are marked as less than 0.03 mg/L. As all their values can be assumed below 0.01 mg/L, they are considered insoluble in water. As expected, predicted water solubility decreased with increasing molecular weight across the MDI category. A value of 0.03 mg/L is considered for the chemical safety assesment.
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