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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
Reference
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:
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





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

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 .

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Eye irritation

Link to relevant study records
Reference
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:
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





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

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).

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.