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Toxicological information

Dermal absorption

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Administrative data

Endpoint:
dermal absorption, other
Remarks:
QSAR
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Data source

Reference
Reference Type:
other: QSAR
Title:
Dermwin (v 2.01) in Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11.
Author:
US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Year:
2017
Bibliographic source:
https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface#models

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
The Dermal Permeability Coefficient Program (DERMWIN) v2.00 estimates the dermal permeability coefficient (Kp), the dermally absorbed dose per event (DAevent) and Dermal Absorbed Dose (DAD) of organic compounds via water contact.

Test material

Reference
Name:
Unnamed
Specific details on test material used for the study:
SMILES (used for QSAR prediction): CC(C(C)(C)C)C(C)(C)C(C)(C)SSSC(C)(C)C(C)(C)C(C)C(C)(C)C

Results and discussion

Percutaneous absorption
Parameter:
rate
Remarks:
Kp (est)
Absorption:
436 cm/h

Any other information on results incl. tables

                 Kp (est): 436 cm/hr

SMILES : CC(C(C)(C)C)C(C)(C)C(C)(C)SSSC(C)(C)C(C)(C)C(C)C(C)(C)C

CHEM   :

MOL FOR: C24 H50 S3

MOL WT : 434.85

------------------------------ Dermwin v2.01 ----------------------------------

Log Kow  (estimated)  :  11.86

Log Kow (experimental):  not available

GENERAL Equation:   log Kp = -2.80 + 0.66 log Kow - 0.0056 MW

   Kp (predicted): 4.36e+002  cm/hr

Dermally Absorbed Dose per Event for Organic Compounds - Water Contact:

  Water Conc (mg/cm3): 1e+003  (entered by user)

  Fraction Absorbed  : 1.0000

  DA(event):  4.97e+006 mg/cm2-event (using eqn 3.2 & 3.3)

                  (tau = 29.3 hr,  t* = 138 hr)

Dermally Absorbed Dose (70 kg Adult) - Water Contact:

  DAD:  5.25e+008 mg/kg-day (using eqn 3.1)

Applicant's summary and conclusion