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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Toxicological information

Dermal absorption

Currently viewing:

Administrative data

Endpoint:
dermal absorption, other
Remarks:
calculation
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

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
Guideline:
other: OECD Series on Testing and Assessment No. 69 (Validation of QSAR)
Qualifier:
according to guideline
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

Constituent 1
Chemical structure
Reference substance name:
ε-caprolactam
EC Number:
203-313-2
EC Name:
ε-caprolactam
Cas Number:
105-60-2
Molecular formula:
C6H11NO
IUPAC Name:
azepan-2-one

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