Registration Dossier

Administrative data

Endpoint:
dermal absorption, other
Remarks:
in silico
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study

Data source

Reference
Reference Type:
other: caculation
Title:
In Silico skin absorption model
Author:
Jie Shen, Lambros Kromidas, Terry Schultz, Sneha Bhatia
Bibliographic source:
An in silico skin absorption model for fragrance materials, Shen et al., 2014. Food and Chemical Toxicology 74 (2014) 164–176

Materials and methods

Test guideline
Qualifier:
no guideline followed

Test material

Constituent 1
Chemical structure
Reference substance name:
(2E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
EC Number:
813-338-6
Cas Number:
106155-02-6
Molecular formula:
C13H22O
IUPAC Name:
(2E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

Results and discussion

Percutaneous absorption
Parameter:
other: Absorption based on calculated Jmax
Absorption:
<= 40 %

Any other information on results incl. tables

Calculated value Jmax = 6.659

Absorption ≤ 40%

Applicant's summary and conclusion

Conclusions:
Calculated value Jmax = 6.659
Absorption ≤ 40%
Executive summary:

Calculated value Jmax = 6.659

Absorption ≤ 40%