Registration Dossier
Registration Dossier
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: 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.
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.
