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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation: in vivo (non-LLNA)
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: QSAR prediction
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for "Skin Sensitisation" read across evaluation for 128-44-9
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
http://www.oecd.org/

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 406 (Skin Sensitisation)
GLP compliance:
not specified
Type of study:
Draize test

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:C1(=O)c2c(cccc2)S(=O)(=O)N{-}1.[Na]{+}

In vivo test system

Test animals

Species:
guinea pig

Results and discussion

In vivo (non-LLNA)

Results
Reading:
other: Draize test
Group:
other: no data
Clinical observations:
negative to skin sensitization
Remarks on result:
other: Reading: other: Draize test. Group: other: no data. Clinical observations: negative to skin sensitization.

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" and "d" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C1(=O)c2c(cccc2)S(=O)(=O)N{-}1.[Na]{+}
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C1(=O)c2c(cccc2)S(=O)(=O)N{-}1.[Na]{+}
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= -2.41

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.64

Applicant's summary and conclusion

Interpretation of results:
other: Negative
Executive summary: