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Administrative data

Endpoint:
dermal absorption
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: QSAR estimations from dermal absorption tend to be conservative; however, they are not formally validated

Data source

Reference
Reference Type:
other: database
Title:
Danish QSAR Database
Author:
Anonymous
Bibliographic source:
http://ecbqsar.jrc.it/

Materials and methods

Principles of method if other than guideline:
The Danish QSAR Database reports DERMWINv.2 calculations. These are based on the Guy & Potts formula (GUY R.H. AND POTTS R.O., 1992. Structure-Permeability Relationships in Percutaneous absorption. J. Pharm. Sci.. 81: 603-604).

Test material

Constituent 1
Chemical structure
Reference substance name:
Pentaerythritol tetrakis(3-mercaptopropionate)
EC Number:
231-472-8
EC Name:
Pentaerythritol tetrakis(3-mercaptopropionate)
Cas Number:
7575-23-7
Molecular formula:
C17H28O8S4
IUPAC Name:
3-[(3-sulfanylpropanoyl)oxy]-2,2-bis({[(3-sulfanylpropanoyl)oxy]methyl})propyl 3-sulfanylpropanoate

Results and discussion

Percutaneous absorption
Parameter:
percentage
Absorption:
<= 10 %
Remarks on result:
other: 8 h
Remarks:
Concluded on the basis of the very low predicted absorption rate of 0.00001 mg/cm²/event.

Applicant's summary and conclusion

Conclusions:
It is concluded that absorption of PETMP through human skin in vivo within 8 h will be significantly less than 10%. This is a very conservative assumption that will be used for dermal risk assessments.

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