Case Number 107089 - SingleCompoundCmax.xls+4C3L

Contact: Geoffrey Pinski
Phone: 513-558-5696

Description:  Our program is computer software designed to compute estimated values for transport of chemicals through the skin. The program consists of an Excel workbook (i.e.. multiple spreadsheets) combiried with a Visual Basic add-in that runs under Microsoft Excel on Windows XP. Some of the calculations are done in the add-in and other calculations are done in the workbook, so that different workbooks can work with the same add-in. The user is required to enter parameters related to the physical properties of the permeant as well as the physical conditions he/she wants to simulate. The program returns multiple outputs including absorption and evaporation rates. cumulative absorption and evaporation and concentrations in the various skin layers. throughout the simulation. A key output related to contact allergy risk assessment is C(max) the maximum concentration of permeant achieved at the level of the mid epidermis during the absorption process. A new concept embodied in Version 1.4 is that of calculating and separately identifying C(max) and C(free) where C(max) is the maximum concentration of the concentration of freely diffusing permeant in the mid epidermis. The calculations are based on a mathematical model which is subject to change as the model becomes more sophisticated. The accuracy of the calculations will be improved and the scope of allowable simulation conditions broadened as the development work proceeds.