Registration Dossier

Administrative data

Endpoint:
dermal absorption
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR model based on several hundred chemicals tested in the same human skin model at the Central Toxicology laboratory and dermal Technology Laboratory .

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Principles of method if other than guideline:
In silico prediction of skin permeation (human skin)

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent

Results and discussion

Absorption in different matrices:
The absorption rate of Butyldiglycol methacrylate through human skin was predicted to be 24.992 µg/cm²/h (moderate absorption)

Any other information on results incl. tables

In silico prediction of dermal absorption of higher methacrylates

In a QSAR model based on the physico-chemical properties (MW, logPow and satutared aqueous solubility) of chemicals the permeability of dermal absorption of a group of higher methacrylates was calculated. QSARs, when applied to estimating dermal permeability coefficients are also known as quantitative structure-permeability relationships (QSPeRs or QSPRs). The prediction model used in this investigation for a set of 54 methacrylate chemicals was based on an established model [Potts and Guy, (1992). Predicting Skin Permeability, Pharm. Res. 9(5): 663-669], using data derived with human epidermal membranes. The QSPeR approach can be used to identify compounds that are more likely to cross the stratum corneum barrier. Well dermal absorbed compounds include a low molecular weight, a general tendency towards being lipophilic in order to partition into the lipid rich stratum corneum/epidermis, but having sufficient aqueous solubility to cross the more polar regions of the dermis, prior to resorption into the blood circulation.

 

The dermal absorption was expressed using the permeability coefficient Kp which characterises the steady-state permeation rate of a chemical from a specific vehicle through a given membrane.

 

Terms used for categorising absorption of chemicals through human skin

Kp

(cm/h)

Absorption Rate

(µg/cm²/h)

Relative Absorption Rate Category

Predicted Absorption fromExposure

1 x 10-2– 10-1

> 500

Fast

very high

1 x 10-3– 10-2

100-500

rapid –fast

high

1 x 10-4– 10-3

10-50

50-100

slow – moderate

moderate – rapid

moderate

1 x 10-5– 10-4

0.1-10

very slow – slow

low

1 x 10-6– 10-5

0.001-0.1

extremely – very slow

minimal

 < 1 x 10-6

< 0.001

extremely slow

negligible

 

The absorption rate of Butyldiglycol methacrylate was predicted to be 24.992 µg/cm²/h. Therefore the dermal absorption is predicted to be moderate.

Applicant's summary and conclusion

Conclusions:
In a QSAR model based on the physico-chemical properties (MW, logPow and satutared aqueous solubility) of chemicals the permeability of dermal absorption of a group of higher methacrylates was calculated. The absorption rate of Butyldiglycol methacrylate through human skin was predicted to be 24.992 µg/cm²/h. Therefore the dermal absorption is predicted to be moderate.
Executive summary:

In a QSAR model based on the physico-chemical properties (MW, logPow and satutared aqueous solubility) of chemicals the permeability of dermal absorption of a group of higher methacrylates was calculated.

The dermal absorption was expressed using the permeability coefficient Kp which characterises the steady-state permeation rate of a chemical from a specific vehicle through a given membrane.

The absorption rate of Butyldiglycol methacrylate was predicted to be 24.992 µg/cm²/h. Therefore the dermal absorption is predicted to be moderate.