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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
