Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 228-085-1 | CAS number: 6117-80-2
Dermal absorption
Administrative data
- Endpoint:
- dermal absorption
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted method of estimation for risk assessment
Data source
Reference
- Reference Type:
- other: Estimate
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated using U.S. EPA DERMWIN v1.43a (September 2008)
- Principles of method if other than guideline:
- The Dermal Permeability Coefficient Program (DERMWIN) estimates the dermal permeability coefficient (Kp) and the dermally absorbed dose per event (DAevent) of organic compounds.
- GLP compliance:
- no
Test material
- Reference substance name:
- But-2-ene-1,4-diol
- EC Number:
- 203-787-0
- EC Name:
- But-2-ene-1,4-diol
- Cas Number:
- 110-64-5
- Molecular formula:
- C4H8O2
- IUPAC Name:
- 2-Butene-1,4-diol
- Reference substance name:
- (Z)-2-butene-1,4-diol
- EC Number:
- 228-085-1
- EC Name:
- (Z)-2-butene-1,4-diol
- Cas Number:
- 6117-80-2
- Molecular formula:
- C4H8O2
- IUPAC Name:
- but-2-ene-1,4-diol
- Details on test material:
- SMILES : OCC=CCO
CHEM : 2-Butene-1,4-diol
MOL FOR: C4 H8 O2
MOL WT : 88.11
Log Kow: -0.9 (user entered)
Constituent 1
Constituent 2
- Radiolabelling:
- no
Test animals
- Species:
- other: Estimate
- Strain:
- other: Estimate
Administration / exposure
- Details on study design:
- Log Kow (user-entered): -0.9 (used in Kp calculations)
GENERAL Equation: log Kp = -2.72 + 0.71 log Kow - 0.0061 MW
ALCOHOL Class Equation: log Kp = 0.544 log Kow - 2.884
Results and discussion
Any other information on results incl. tables
GENERAL Equation: Kp (predicted): 1.27e-004 cm/hr
Alchol Class Equation: Kp (predicted): 4.2e-004 cm/hr
Dermally Absorbed Dose per Event:
Water Conc (mg/cm3): 7.4e+002 (estimated by program)
Event Duration (hr): 1
DA(event): 0.094 mg/cm2-event (using Fick's first law)
DA(event): 0.15 mg/cm2-event (using eqn 5.20 & 5.21)
(tau = 0.3 hr, t* = 0.72 hr)
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.
