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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
Type:
Constituent
Specific details on test material used for the study:
SMILE : O=C(OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C)C(=C)C

Results and discussion

Percutaneous absorption
Parameter:
rate
Remarks:
Kp
Absorption:
0.012 cm/h

Any other information on results incl. tables

Kp (est): 0.012 cm/hr

SMILES : O=C(OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C)C(=C)C

CHEM :

MOL FOR: C18 H26 O6

MOL WT : 338.40

------------------------------ Dermwin v2.02 ----------------------------------

Log Kow (estimated) : 4.50

Log Kow (user-entered): 4.19 (used in Kp calculations)

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

Kp (predicted): 0.012 cm/hr

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

Water Conc (mg/cm3): 0.00192 (estimated by program)

Fraction Absorbed : 1.0000

DA(event): 0.000141 mg/cm2-event (using eqn 3.2 & 3.3)

(tau = 8.43 hr, t* = 20.2 hr)

Dermally Absorbed Dose (70.00 kg Human) - Water Contact:

DAD: 0.0149 mg/kg-day (using eqn 3.1)

using:

SA: 18000.0 cm2 (skin surface area)

EV: 1.00 event/day (event freq)

ED: 30.0 years (exposure duration)

EF: 350.0 day/year (exposure freq)

BW: 70.00 kg (body weight)

AT: 25550.00 days (averaging time)

Applicant's summary and conclusion

Conclusions:
Based on DERMWIN, the Kp of TMPTMA is 0.012 cm/hr.