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SKIN EXPOSURES & EFFECTS

Skin Permeation Calculator

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The skin permeation coefficient (kp) is a measure of the conductance of skin to a particular chemical from a particular vehicle. This calculator estimates the value of kp from an aqueous vehicle using three different models: Frasch, Potts & Guy and Modified Robinson.

Two inputs are required: molecular weight (MW) and the base-10 logarithm of the octanol-water partition coefficient (logKow) of the compound of interest. These models have been optimized based on experimental data compiled by Flynn.

The user may also browse the Flynn data base of experimental kp's. Calculation of the modeled kp will automatically be performed for the chosen chemical.

Syracuse Research Corporation’s interactive logKow
You will need the CAS number or SMILES notation for the compound of interest.

Requires Java 1.5 or higher installed!

Requires Java installed. Download Java Free

For additional information contact Fred Frasch at HFrasch@cdc.gov or Adam Fedorowicz at AFedorowicz@cdc.gov.

References

  • Frasch Model
    Frasch, H. F. (2002) A random walk model of skin permeation. Risk Anal. 22, 265-276
  • Potts and Guy Model
    Potts, R. O., and Guy, R. H. (1992) Predicting skin permeability. Pharm. Res. 9, 663-669
  • Modified Robinson Model
    Wilschut, A., ten Berge, W. F., Robinson, P. J., McKone, T. E. (1995) Estimating skin permeation. The Validation of five mathematical skin permeation models. Chemosphere 30, 1275-1296
  • Flynn Data Base Flynn, G. L. (1990) Physicochemical determinants of skin absorption. IN: Garrity, TR, Henry, CJ (Eds) Principles of route-to route extrapolation for risk assessment. Elsevier, New York, pp 93-127.
 
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  • Page last reviewed: July 3, 2013
  • Page last updated: July 10, 2012
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