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Physical & Chemical properties

Dissociation constant

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Description of key information

The pKa is assessed based on measured and estimated data for the major components of AMIX TE (CAS 68953-70-8):

- CAS no. 102-71-6: pKa = 7.86 at 25 °C (measured, titrimetric method; BASF AG, 1991, report no. 90P03095)

- CAS no. 17626-34-5: pKa#1 = 7.05 at 25 °C (estimated, SPARC Online calculcator; in applicability domain; BASF SE, 2017)

- CAS no. 55468-09-2: pKa#1 = 6.75, pKa#2 = 7.82 at 25 °C (estimated, SPARC Onlinecalculcator; in applicability domain; BASF SE, 2017)

Key value for chemical safety assessment

Additional information

In accordance with section 2 of REACH Annex XI, the study does not need to be conducted as Oxirane, reaction products with ammonia,distn. residues (CAS no. 68953-70-8) is a mixture of substances with a large number of different amine groups. For each of these groups a discrete dissociation constant can be defined, but not determined by titration. The determination of the dissociation constant of an aqueous preparation of Oxirane, reaction products with ammonia,distn. residues according to OECD Guideline 112 was not feasible. 

Therefore, the pKa is assessed based on measured and estimated data for its major components:

- CAS no. 102-71-6: pKa= 7.86 at 25 °C (measured, titrimetric method; BASF AG, 1991, report no. 90P03095)

- CAS no. 17626-34 -5: pKa#1 = 7.05 at 25 °C (estimated, SPARC Online calculcator; in applicability domain; BASF SE, 2017)

- CAS no. 55468-09-2: pKa#1 = 6.75, pKa#2 = 7.82 at 25 °C (estimated, SPARC Onlinecalculcator; in applicability domain; BASF SE, 2017)