Registration Dossier

Administrative data

Endpoint:
dermal absorption
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Simulation of dermal absorption based on LogP
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: software report
Title:
EPI Suite Version 4.0
Author:
EPA DERMWIN v2.00
Year:
2009
Bibliographic source:
U.S. Environmental Protection Agency, Office of Pollution Prevention and Toxics, Washington D.C., U.S.A

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
other: OECD Series on Testing and Assessment No. 69 (Validation of QSAR)
Qualifier:
according to
Guideline:
other: US EPA, 1992. Dermal Exposure Assessment: Principles and Applications. EPA/600/8-91-011B, Interim Report.
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) for a dilute organic chemical in an aqueous solution.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Any other information on results incl. tables

Kp (est): 0.000436 cm/hr

CAS No.: 000105-60-2

SMILES : O=C(NCCCC1)C1

CHEM : 2H-Azepin-2-one, hexahydro-

MOL FOR: C6 H11 N1 O1

MOL WT : 113.16

------------------------------ Dermwin v2.00 ----------------------------------

Log Kow (estimated) : 0.66

Log Kow (user-entered): 0.12 (used in Kp calculations)

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

Kp (predicted): 4.36e-004 cm/hr

Applicant's summary and conclusion