Registration Dossier
Registration Dossier
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EC number: 203-812-5 | CAS number: 110-88-3
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
- 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:
- 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:
- Simulation of dermal absorption based on LogP and water solubility
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,3,5-trioxane
- EC Number:
- 203-812-5
- EC Name:
- 1,3,5-trioxane
- Cas Number:
- 110-88-3
- Molecular formula:
- C3H6O3
- IUPAC Name:
- 1,3,5-trioxane
Constituent 1
Results and discussion
Any other information on results incl. tables
Kp (est): 0.000228 cm/hr
CAS No.: 000110-88-3
SMILES : O(COCO1)C1
CHEM : 1,3,5-Trioxane
MOL FOR: C3 H6 O3
MOL WT : 90.08
------------------------------ Dermwin v2.00 ----------------------------------
Log Kow (estimated) : -0.56
Log Kow (user-entered): -0.50 (used in Kp calculations)
GENERAL Equation: log Kp = -2.80 + 0.66 log Kow - 0.0056 MW
Kp (predicted): 2.28e-004 cm/hr
Dermally Absorbed Dose per Event for Organic Compounds - Water Contact:
Water Conc (mg/cm3): 1.7e+002 (entered by user)
Fraction Absorbed : 1.0000
DA(event): 3.40e-001 mg/cm2-event (using eqn 3.2 & 3.3)
(tau = 0.341 hr, t* = 0.818 hr)
Dermally Absorbed Dose (70 kg Adult) - Water Contact:
DAD: 3.59e+001 mg/kg-day (using eqn 3.1)
Applicant's summary and conclusion
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