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Registration Dossier
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EC number: 202-548-8 | CAS number: 96-97-9
Eye irritation
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:
- Estimation for MMAS for CAS 96-97-9
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR Toolbox version 3.1
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- no
Test material
- Reference substance name:
- 5-nitrosalicylic acid
- EC Number:
- 202-548-8
- EC Name:
- 5-nitrosalicylic acid
- Cas Number:
- 96-97-9
- Molecular formula:
- C7H5NO5
- IUPAC Name:
- 5-nitrosalicylic acid
- Details on test material:
- - Name of test material (as cited in study report): 5-nitrosalicylic acid
- Substance type: Organic
- Physical state: solid
Constituent 1
Test animals / tissue source
- Species:
- rabbit
- Strain:
- not specified
Test system
- Vehicle:
- not specified
- Controls:
- not specified
- Number of animals or in vitro replicates:
- 6 animals
Results and discussion
In vivo
Results
- Irritation parameter:
- other: MMAS(modified maximum average score (MMAS))
- Basis:
- mean
- Score:
- 44.8
- Reversibility:
- not specified
- Remarks on result:
- other: irritating to eye of rabbit
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
("a" and ("b" and "c" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -4.99
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.75
Applicant's summary and conclusion
- Interpretation of results:
- irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The modified maximum average score (MMAS) from QSAR eye irritation score of 5-nitrosalicylic acid is estimated as 44.8. This score indicates that 5-nitrosalicylic acid is irritating to the eye of rabbit.(as the criteria MMAS ≤ 59 is irritating).
- Executive summary:
The modified maximum average score (MMAS) from QSAR eye irritation score of 5-nitrosalicylic acid is estimated as 44.8. This score indicates that 5-nitrosalicylic acid is irritating to the eye of rabbit.(as the criteria MMAS ≤ 59 is irritating).
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