Registration Dossier
Registration Dossier
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EC number: 211-754-7 | CAS number: 693-57-2
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
The PALLAS prediction resulted in pKa values of 4.88 for the acidic group and 10.52 for the basic group.
Key value for chemical safety assessment
Additional information
In the key study, the pKalc 3.1 module of PALLAS was used to predict the pKa value of the test material. The input parameters used in the PALLAS predictions resulted in pKa values of 4.88 for the acidic group and 10.52 for the basic group.
In accordance with the criteria of Klimisch (1997), a calculation of this type may be awarded a reliability score of 2.
Supporting information is provided in the form of early experimental data.
The pKa of omega-amino-dodecanoic acid was determined using the Electrometric method, using water as medium. Under the conditions of the study, the pKa was reported to be 4.65 at 25 °C. No further information on materials of methods was provided.
As a result of the lack of reported detail, it was not possible to assess the reliability of the presented results. Therefore the study was awarded a reliability score of 4 in accordance with the criteria of Klimisch (1997).
Basic amino function and an acidic carboxylic acid function compensate one another and as such neutral behaviour of the substance is anticipated in aqueous solution.
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