Registration Dossier
Registration Dossier
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EC number: 203-313-2 | CAS number: 105-60-2
Dermal absorption
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
Data source
Reference
- Reference Type:
- other: software report
- Title:
- EPI Suite Version 4.0
- Author:
- EPA DERMWIN v2.00
- Year:
- 2 009
- 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
- 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
Constituent 1
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
- Conclusions:
- According to the DK-EPA heuristics a Kp values of 0.000436 cm/hr is indicative for a very low bioavailability of the test substance from an aquaeous medium.
- Executive summary:
According to the DK-EPA heuristics a Kp values of 0.000436 cm/hr is indicative for a very low bioavailability of the test substance from an aquaeous medium.
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