Registration Dossier
Registration Dossier
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EC number: 203-728-9 | CAS number: 110-01-0
Dermal absorption
Administrative data
- Endpoint:
- dermal absorption, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Dermwin (v 2.01) in Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11.
- Author:
- US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- Year:
- 2 017
- Bibliographic source:
- https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface#models
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- 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) of organic compounds via water contact.
Test material
- Reference substance name:
- Tetrahydrothiophene
- EC Number:
- 203-728-9
- EC Name:
- Tetrahydrothiophene
- Cas Number:
- 110-01-0
- Molecular formula:
- C4H8S
- IUPAC Name:
- tetrahydrothiophene
- Test material form:
- liquid: volatile
Constituent 1
- Specific details on test material used for the study:
- SMILES : C1CCSC1
Results and discussion
Percutaneous absorption
- Parameter:
- rate
- Remarks:
- Kp
- Absorption:
- 0.008 cm/h
Any other information on results incl. tables
Kp (est): 0.00788 cm/hr
SMILES : C1CCSC1
CHEM : THT
MOL FOR: C4 H8 S1
MOL WT : 88.17
------------------------------ Dermwin v2.01 ----------------------------------
Log Kow (estimated) : 1.79
Log Kow (user-entered): 1.80 (used in Kp calculations)
GENERAL Equation: log Kp = -2.80 + 0.66 log Kow - 0.0056 MW
Kp (predicted): 7.88e-003 cm/hr
Dermally Absorbed Dose per Event for Organic Compounds - Water Contact:
Water Conc (mg/cm3): 5.8 (entered by user)
Fraction Absorbed : 1.0000
DA(event): 3.87e-001 mg/cm2-event (using eqn 3.2 & 3.3)
(tau = 0.332 hr, t* = 0.798 hr)
Dermally Absorbed Dose (70 kg Adult) - Water Contact:
DAD: 4.09e+001 mg/kg-day (using eqn 3.1)
Applicant's summary and conclusion
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