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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2013

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
A quantitative structure-activity relationship (QSAR) system for the estimation of the skin penetration potential.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl][3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyl]dimethylammonium chloride
EC Number:
278-859-8
EC Name:
[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]ethyl][3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyl]dimethylammonium chloride
Cas Number:
78181-99-4
Molecular formula:
C35H46N5O4.Cl
IUPAC Name:
3-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)-N-[2-({2-cyano-3-[4-(diethylamino)phenyl]acryloyl}oxy)ethyl]-N,N-dimethylpropan-1-aminium chloride

Results and discussion

Any other information on results incl. tables

The predicted Kp value of 0.000307 cm/hr is indicative for a very low dermal penetration potential according to DK-EPA heuristics (User Manual for the Internet Version of the Danish (Q)SAR Database, Database Version 1, May 2005).

Applicant's summary and conclusion