Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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: QSAR Toolbox 2.3.0.1132 prediction for "Primary Irritation Index" read across evaluation for 99-59-2
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: other guideline:;OECD Guideline 404 (Acute dermal irritation / corrosion)
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
5-nitro-o-anisidine
EC Number:
202-770-5
EC Name:
5-nitro-o-anisidine
Cas Number:
99-59-2
Molecular formula:
C7H8N2O3
IUPAC Name:
2-methoxy-5-nitroaniline
Details on test material:
Name of the test material: 5-nitro-o-anisidine
Molecular formula: C7H8N2O3
Substance type: Organic

Test animals

Species:
other: rabbit;human

Test system

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

Results and discussion

In vivo

Results
Irritation parameter:
primary dermal irritation index (PDII)
Basis:
mean
Score:
3.2
Reversibility:
no data
Remarks on result:
other: moderately 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
Domain logical expression:Result: In Domain

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

Domain logical expression index: "a"

Similarity boundary:Target: c1(OC)c(N)cc(N(=O)=O)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: c1(OC)c(N)cc(N(=O)=O)cc1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.684

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.46

Applicant's summary and conclusion

Interpretation of results:
moderately irritating
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
By primary dermal irritation index (PDII) from QSAR, skin irritation score of 5-nitro-o-anisidine was estimated as 3.2. Based on this score 5-nitro-o-anisidine was found to be moderately irritating to the human skin.
Executive summary:

By primary dermal irritation index (PDII) from QSAR, skin irritation score of 5-nitro-o-anisidine was estimated as 3.2. Based on this score 5-nitro-o-anisidine was found to be moderately irritating to the human skin.