Registration Dossier

Administrative data

Endpoint:
eye 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 MMAS read across evaluation for 98-37-3
Author:
Sustainability Support Services (Europe) AB
Year:
2013
Bibliographic source:
QSAR toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
Data is predicted by QSAR toolbox version 2.3
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline
Details on test material:
- Name of test material : 3-amino-4-hydroxybenzenesulphonic acid
-Substance type-organic
-physical state-crystalline solid.

Test animals / tissue source

Species:
rabbit
Strain:
not specified

Test system

Vehicle:
not specified
Duration of treatment / exposure:
1-3 days

Results and discussion

In vivo

Results
Irritation parameter:
other: MMAS(modified maximum average score )
Basis:
mean
Score:
33.5
Reversibility:
not specified
Remarks on result:
other: irritating

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Taking average value from the 4 nearest neighbours
Domain logical expression:Result: In Domain

(("a" and ("b" and ( not "c") ) ) and ("d" and "e" ) )

Domain logical expression index: "a"

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

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alpha, beta- unsaturated esters OR Aromatic nitro OR Epoxides OR MA: Direct Acting Epoxides and related OR MA: Nitrenium Ion Formation OR MA: Polarised Alkenes_Michael addition OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 by DNA binding by OECD

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= -4.99

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.6

Applicant's summary and conclusion

Interpretation of results:
irritating
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
By MMAS(modified maximum average score (MMAS)) from QSAR, eye irritation score of 3-amino-4-hydroxybenzenesulphonic acid was estimated as 33.5.Based on this score 3-amino-4-hydroxybenzenesulphonic acid was found to be irritating to the eye of rabbit.
Executive summary:

The modified maximum average score (MMAS) from QSAR eye irritation score of 3-amino-4-hydroxybenzenesulphonic acid was estimated as 33.5. This score indicates that 3-amino-4-hydroxybenzenesulphonic acid is irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating).