Registration Dossier
Registration Dossier
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EC number: 202-423-8 | CAS number: 95-48-7
Specific investigations: other studies
Administrative data
- Endpoint:
- mechanistic studies
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: in silico model, reliability of limited significance
Data source
Reference
- Reference Type:
- publication
- Title:
- Calculating the dermal flux of chemicals with OELs based on their molecular structure: An attempt to assign the skin notation
- Author:
- Kupczewska-Dobecka M, Jakubowski M, Czerczak S
- Year:
- 2 010
- Bibliographic source:
- Environmental Toxicology and Pharmacology 30 (2010) 95–102
Materials and methods
- Principles of method if other than guideline:
- The permeability coefficient and dermal penetration rates (flux value) for 112 chemicals with occupational exposure limits (OELs) was calculated according to the LFER (linear free-energy relationship) model using published methods. To assign skin notations based on each chemical’s molecular structure was also attempted.
- GLP compliance:
- no
- Type of method:
- other: in silico model
- Endpoint addressed:
- dermal absorption
Test material
- Reference substance name:
- 95-58-7
- IUPAC Name:
- 95-58-7
- Details on test material:
- not applicable - in silico model
Constituent 1
Test animals
- Species:
- other: not applicable - in silico model
- Strain:
- other: not applicable - in silico model
Administration / exposure
- Route of administration:
- other: not applicable - in silico model
- Vehicle:
- other: not applicable - in silico model
- Duration of treatment / exposure:
- not applicable - in silico model
- Frequency of treatment:
- not applicable - in silico model
- Post exposure period:
- not applicable - in silico model
- No. of animals per sex per dose:
- not applicable - in silico model
Results and discussion
- Details on results:
- Chemical CAS No. OEL [mg/l] Fl* [mg/cm2/h] Log Kp ABR [cm/h] Fl ABR [mg/cm2 /h] Fl*/Fl
o-Cresol 108-39-4 0.0220 0.0165 −1.6610 0.5457 0.0302 m-Cresol 95-48-7 0.0220 0.0165 −1.6610 0.5129 0.0322 p-Cresol 106-44-5 0.0220 0.0165 −1.6610 0.5239 0.0315
-fluxes (Fl, mg/cm2/h) and permeability coefficient values (Log Kp cm/h), calculated from the Abraham and Martins model
-critical fluxes (Fl*, mg/cm2h) and the critical flux to calculated flux (Fl*/Fl) ratio
Applicant's summary and conclusion
- Executive summary:
The permeability coefficient and dermal penetration rates (flux value) for 112 chemicals with occupational exposure limits (OELs) was calculated according to the LFER (linear free-energy relationship) model using published methods.
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