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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation: in vivo (non-LLNA)
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for "Skin Sensitisation" read across evaluation for 561-41-1
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: estimated data
GLP compliance:
not specified
Type of study:
patch test

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:c1(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc(NC)cc1

In vivo test system

Test animals

Species:
human
Strain:
not specified
Sex:
male/female

Study design: in vivo (non-LLNA)

Induction
Route:
epicutaneous, occlusive
Vehicle:
no data

Results and discussion

In vivo (non-LLNA)

Results
Clinical observations:
not sensetizing
Remarks on result:
other: Clinical observations: not sensetizing.

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: "Skin sensitisation"
Estimation method: Taking highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

("a" and ("b" and "c" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc(NC)cc1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.317

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 7.98

Applicant's summary and conclusion

Interpretation of results:
not sensitising
Remarks:
Migrated information Negative Criteria used for interpretation of results: EU
Conclusions:
Based on human values the skin sensetization of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol is estimated to be negative.
Executive summary:

Based on human values the skin sensetization of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol is estimated to be negative.