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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
other information
Study period:
2002
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
14.2
Remarks on result:
other: calculated
Remarks:
concerning aliphatic hydroxy group

Except for the aliphatic OH-group the test substance does not contain any functional group which can be protonated or deprotonated significantly in aqueous solution. Therefore, the substance is to be considered as a neutral molecule in the pH range 2-10, which is of relevance for aqueous biological systems.

Conclusions:
Except for the aliphatic OH-group Fluocortolon-A-Acetat does not contain any functional group which can be protonated or deprotonated significantly in aqueous solution. Therefore, Fluocortolon-A-Acetat is to be considered as a neutral molecule in the pH range 2-10, which is of relevance for aqueous biological systems.
Executive summary:

The chemical structure of Fluocortolon-A-Acetat does not contain any functional groups, which can be protonated or deprotonated in the biologically relevant range of pH 2 to 10 except for the aliphatic hydroxy group. The pKa calculation with the computer program ACD/pKa DB gave a value of 14.2 for the aliphatic hydroxy group. Therefore, the substance is to be considered as a neutral molecule in the pH range 2-10, which is of relevance for aqueous biological systems.

Description of key information

Except for the aliphatic OH-groups the Fluocortolon-A-Acetat does not contain any functional group which can be protonated or deprotonated significantly in aqueous solution. Therefore, the substance is to be considered as a neutral molecule in the pH range 2-10, which is of relevance for aqueous biological systems.

Key value for chemical safety assessment

Additional information

The pKa calculation with the computer program ACD/pKa DB ( Advanced Chemistry Development Inc., Toronto, Canada) gave a value of 14.2 for the aliphatic hydroxy groups. Therefore, the substance is to be considered as a neutral molecule in the pH range 2-10, which is of relevance for aqueous biological systems.