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Registration Dossier
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EC number: 202-548-8 | CAS number: 96-97-9
Endpoint summary
Administrative data
Description of key information
The substance 5-nitrosalicylic acid was found to be irritaing in skin and eye category.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- 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
- Species:
- rabbit
- Strain:
- New Zealand White
- Type of coverage:
- occlusive
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Number of animals:
- 5-6 animals
- Irritation parameter:
- primary dermal irritation index (PDII)
- Basis:
- mean
- Score:
- 2
- Reversibility:
- no data
- Remarks on result:
- other: irritating to skin of rabbit
- Interpretation of results:
- irritating
- Remarks:
- Migrated information 2 Criteria used for interpretation of results: EU
- Conclusions:
- By primary dermal irritation index (PDII) from QSAR, skin irritation score of 5-nitrosalicylic acid estimated as 2.Based upon this score it is indicated that 5-nitrosalicylic acid is irritating to the skin of rabbit .
- Executive summary:
By primary dermal irritation index (PDII) from QSAR, skin irritation score of 5-nitrosalicylic acid estimated as 2.Based upon this score it is indicated that 5-nitrosalicylic acid is irritating to the skin of rabbit .
Reference
The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a" and ("b" and ( not "c") ) ) and "d" ) and "e" ) and "f" ) and "g" ) and ("h" and "i" ) )
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"
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: "c"
Referential boundary: The target chemical should be classified as Group 14 - Metalloids Si,Ge OR Group 16 - Sulfur S OR Group 17 - Halogens Cl OR Group 17 - Halogens F OR Group 17 - Halogens F,Cl,Br,I,At OR Group 2 - Alkaline Earth Be,Mg,Ca,Sr,Ba,Ra by Chemical elements
Domain logical expression index: "d"
Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=10%,
Dice(Atom centered fragments)
Domain logical expression index: "e"
Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=20%,
Dice(Atom centered fragments)
Domain logical expression index: "f"
Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=30%,
Dice(Atom centered fragments)
Domain logical expression index: "g"
Similarity boundary:Target: C(=O)(O)c1c(O)ccc(N(=O)=O)c1
Threshold=40%,
Dice(Atom centered fragments)
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.02
Domain logical expression index: "i"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.69
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- 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
- 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
- Species:
- rabbit
- Strain:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Number of animals or in vitro replicates:
- 6 animals
- 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
- 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).
Reference
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
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation / corrosion
No. of studies of target substance 5-nitrosalicylic acid reviewed for skin irritation from reliable sources having Klimisch rating 2.
The summary of the results are presented below
Sr.No |
Endpoint |
parameter |
species |
result |
Sources |
1 |
Skin irritation |
primary dermal irritation index (PDII) |
rabbit |
irritating |
Predicted data from QSAR |
2 |
Skin irritation |
overall irritation score |
rabbit |
irritating |
Predicted data from Danish QSAR |
By applying weight of evidence approach the target chemical 5-nitrosalicylic acid found to be irritating to skin of rabbit.
Eye irritation
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).
Justification for selection of skin irritation / corrosion endpoint:
By primary dermal irritation index (PDII) from QSAR, skin irritation score of 5-nitrosalicylic acid estimated as 2.0.Based upon this score it is indicated that 5-nitrosalicylic acid is irritating to the skin of rabbit.
Justification for selection of eye irritation endpoint:
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).
Effects on skin irritation/corrosion: irritating
Effects on eye irritation: irritating
Justification for classification or non-classification
The available studies indicate that the substance 5-nitrosalicylic acid is classified as a skin and eye irritant according to CLP regulation.
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