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
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:
Simulation of dermal absorption based on LogP and water solubility
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Any other information on results incl. tables

Kp (est): 0.00105 cm/hr

CAS No.: 000505-65-7

SMILES : O(CCCCO1)C1

CHEM : 1,3-Dioxepane

MOL FOR: C5 H10 O2

MOL WT : 102.13

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

Log Kow (estimated) : 0.67

Log Kow (user-entered): 0.60 (used in Kp calculations)

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

Kp (predicted): 1.05e-003 cm/hr

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

Water Conc (mg/cm3): 2.6e+002 (entered by user)

Fraction Absorbed : 1.0000

DA(event): 3.66e-001 mg/cm2-event

(tau = 0.398 hr, t* = 0.956 hr)

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

DAD: 3.87e+001 mg/kg-day

Applicant's summary and conclusion