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Dissociation constant

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Description of key information

no dissociation

Key value for chemical safety assessment

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The dissociation constant of the substance reaction mass of Heptanoic acid 3-pentanoyloxy-2,2-bis-pentanoyloxymethyl-propyl ester, Heptanoic acid 2-heptanoyloxymethyl-3-pentanoyloxy-2-pentanoyloxymethyl-propyl ester and Heptanoic acid 3-heptanoyloxy-2-heptanoyloxymethyl-2-pentanoyloxymethyl-propyl ester (former CAS 68441 -94 -1) was determined by QSAR calculations with SPARC (v4.5) for the two exemplary components covering both ends of the substance specification. No dissociation could be determined within the range pH = -0.2 -14.