Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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%