Registration Dossier

Administrative data

Endpoint:
skin irritation: in vivo
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]: 1.91; Estimation for Primary Irritation Index for CAS 59690-88-9
Author:
Sustainability Support Services (Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox version 3.1

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: OECD Guideline 404 (Acute dermal irritation / corrosion)
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.1
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:c1(N)cc(N{+}(.Cl{-})=C(N)O)ccc1

Test animals

Species:
rabbit
Strain:
not specified

Test system

Type of coverage:
other: occlusive
Preparation of test site:
not specified
Vehicle:
not specified

Results and discussion

In vivo

Results
Irritation parameter:
other: Primary irritation index(PII)
Basis:
mean
Score:
1.91
Reversibility:
no data
Remarks on result:
other: The PDII score indicates the chemical to be a slight skin irritant

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aromatic amines by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "b"

Similarity boundary:Target: c1(N)cc(N{+}(.Cl{-})=C(N)O)ccc1
Threshold=30%,
Dice(Atom centered fragments)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of logP Multicase which is >= -2.69

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of logP Multicase which is <= 2.53

Applicant's summary and conclusion

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The primary irritation index on rabbit for (3-aminophenyl)uronium chloride is estimated to be 1.91. Based on this value, it can be estimated that(3-aminophenyl)uronium chloride exhibits slight irritation potential to rabbit skin. However, the PDII score is not considered high enough for classification of the chemical as a skin irritant. Thus, the chemical (3-aminophenyl)uronium chloride is not considered to be a skin irritant.
Executive summary:

The primary irritation index on rabbit for (3-aminophenyl)uronium chloride is estimated to be 1.91. Based on this value, it can be estimated that(3-aminophenyl)uronium chloride exhibits slight irritation potential to rabbit skin. However, the PDII score is not considered high enough for classification of the chemical as a skin irritant. Thus, the chemical (3-aminophenyl)uronium chloride is not considered to be a skin irritant.