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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Toxicological information

Specific investigations: other studies

Currently viewing:

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:
2010
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

Constituent 1
Reference substance name:
95-58-7
IUPAC Name:
95-58-7
Details on test material:
not applicable - in silico model

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.