Registration Dossier
Registration Dossier
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EC number: 200-004-4 | CAS number: 50-03-3
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
Estimation of the acid base properties based on the chemical structure.
Analytical Development Physical Chemistry, Schering AG Berlin. Study report No. A12178 (ADP 2003_032), author H. Miklautz, dated 2003-01-21.
Result: Hydrocortisone-21-acetate can be considered as a neutral molecule in the pH range 2 to 10, which is of relevance for biological systems.
Key value for chemical safety assessment
Additional information
Except for the hydrox-groups, hydrocortisone-21-acetate does not contain any functional group which can be protonated or deprotonated significantly in aqueous solution.
The pKa calculation with the computer program ACD/pKa DB gave pKa’s of 12.4 and 14.6 for the aliphatic hydroxy-groups.
Therefore, hydrocortisone-21-acetate is to be considered as a neutral molecule in the pH range 2 to 10, which is of relevance for aqueous biological systems.
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