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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
Type:
Constituent
Test material form:
solid
Specific details on test material used for the study:
CAS: 1999 -85 -5; SMILES : C(C)(C)(O)c1cc(C(C)(C)O)ccc1
CAS: 2948 -46 -1; SMILES : C(C)(C)(O)c1ccc(C(C)(C)O)cc1

Results and discussion

Percutaneous absorptionopen allclose all
Parameter:
rate
Remarks:
Kp
Absorption:
0.001 cm/h
Remarks on result:
other: CAS: 1999-85-5
Parameter:
rate
Remarks:
Kp
Absorption:
0.001 cm/h
Remarks on result:
other: CAS: 2948-46-1

Any other information on results incl. tables

CAS: 1999 -85 -5

                 Kp (est): 0.00147 cm/hr

SMILES : C(C)(C)(O)c1cc(C(C)(C)O)ccc1

CHEM   :

MOL FOR: C12 H18 O2

MOL WT : 194.28

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

Log Kow  (estimated)  :  2.31

Log Kow (user-entered):  1.60   (used in Kp calculations)

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

   Kp (predicted): 1.47e-003  cm/hr

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

  Water Conc (mg/cm3): 2  (estimated by program)

  Fraction Absorbed  : 1.0000

  DA(event):  7.14e-003 mg/cm2-event (using eqn 3.2 & 3.3)

                  (tau = 1.31 hr,  t* = 3.14 hr)

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

  DAD:  7.54e-001 mg/kg-day (using eqn 3.1)

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CAS: 2948 -46 -1

                 Kp (est): 0.00147 cm/hr

SMILES : C(C)(C)(O)c1ccc(C(C)(C)O)cc1

CHEM   :

MOL FOR: C12 H18 O2

MOL WT : 194.28

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

Log Kow  (estimated)  :  2.31

Log Kow (user-entered):  1.60   (used in Kp calculations)

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

   Kp (predicted): 1.47e-003  cm/hr

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

  Water Conc (mg/cm3): 2  (estimated by program)

  Fraction Absorbed  : 1.0000

  DA(event):  7.14e-003 mg/cm2-event (using eqn 3.2 & 3.3)

                  (tau = 1.31 hr,  t* = 3.14 hr)

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

  DAD:  7.54e-001 mg/kg-day (using eqn 3.1)

Applicant's summary and conclusion