Registration Dossier
Registration Dossier
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EC number: 270-335-7 | CAS number: 68425-15-0
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:
- Polysulfides, di-tert-dodecyl
- EC Number:
- 270-335-7
- EC Name:
- Polysulfides, di-tert-dodecyl
- Cas Number:
- 68425-15-0
- Molecular formula:
- not applicable
- IUPAC Name:
- di (alkyl C11-C13 Branched, C12 Rich), polysulfure S3-S5 rich
1
- Specific details on test material used for the study:
- SMILES (used for QSAR prediction): CC(C(C)(C)C)C(C)(C)C(C)(C)SSSC(C)(C)C(C)(C)C(C)C(C)(C)C
Results and discussion
Percutaneous absorption
- Parameter:
- rate
- Remarks:
- Kp (est)
- Absorption:
- 436 cm/h
Any other information on results incl. tables
Kp (est): 436 cm/hr
SMILES : CC(C(C)(C)C)C(C)(C)C(C)(C)SSSC(C)(C)C(C)(C)C(C)C(C)(C)C
CHEM :
MOL FOR: C24 H50 S3
MOL WT : 434.85
------------------------------ Dermwin v2.01 ----------------------------------
Log Kow (estimated) : 11.86
Log Kow (experimental): not available
GENERAL Equation: log Kp = -2.80 + 0.66 log Kow - 0.0056 MW
Kp (predicted): 4.36e+002 cm/hr
Dermally Absorbed Dose per Event for Organic Compounds - Water Contact:
Water Conc (mg/cm3): 1e+003 (entered by user)
Fraction Absorbed : 1.0000
DA(event): 4.97e+006 mg/cm2-event (using eqn 3.2 & 3.3)
(tau = 29.3 hr, t* = 138 hr)
Dermally Absorbed Dose (70 kg Adult) - Water Contact:
DAD: 5.25e+008 mg/kg-day (using eqn 3.1)
Applicant's summary and conclusion
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