Registration Dossier

Toxicological information

Skin irritation / corrosion

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Administrative data

Endpoint:
skin irritation: in vivo
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 "Primary Irritation Index" 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:
other: estimated data
GLP compliance:
not specified

Test material

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

Test animals

Species:
other: human;rabbit

Test system

Type of coverage:
occlusive

Results and discussion

In vivo

Results
Irritation parameter:
other: Primary irritation index
Basis:
animal: human; rabbit
Time point:
other: not available
Score:
1.7
Remarks on result:
other: not irritating

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Taking average value from the 5 nearest neighbours

(("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 >= -1.86

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= -1.53

Applicant's summary and conclusion

Interpretation of results:
other: 1.7
Executive summary: