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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Description of key information

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation: in vivo (non-LLNA)
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:
not specified
Type of study:
guinea pig maximisation test
Species:
guinea pig
Strain:
not specified
Sex:
not specified
Route:
other: no data
Vehicle:
no data
Route:
other: unspecified
Vehicle:
no data
Positive control substance(s):
not specified
Reading:
1st reading
Group:
test chemical
Clinical observations:
Weak-Sensitizer
Remarks on result:
other: Reading: 1st reading. Group: test group. Clinical observations: Weak-Sensitizer.





The prediction was based on dataset comprised from the following descriptors: "S M W N"
Estimation method: Takes highest mode 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" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Phenols (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules (GSH) by Protein binding potency

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Moderately reactive (GSH) OR Moderately reactive (GSH) >> Alkyl 2-alkenoates (MA) OR Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) by Protein binding potency

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis

Domain logical expression index: "e"

Similarity boundary:Target: C(=O)(O)c1c(O)c(I)cc(I)c1
Threshold=20%,
Dice(Atom centered fragments)

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= 4.49

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.84

Interpretation of results:
not sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
According to the quantitative structure activity relationship model prediction, 3,5-diiodosalicylic acid was predicted as not being sensitizing to guinea pig skin by Guinea pig maximisation test
Executive summary:

According to the quantitative structure activity relationship model prediction, 3,5-diiodosalicylic acid was predicted as not being sensitizing to guinea pig skin by Guinea pig maximisation test

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:

The substance 3,5-diiodosalicylic acid was estimated to be weak sensitizing to skin of guinea pig in guinea pig maximization test.


Migrated from Short description of key information:
3,5-diiodosalicylic acid was predicted as weak sensitizing to guinea pig skin.

Justification for selection of skin sensitisation endpoint:
The substance 3,5-diiodosalicylic acid was estimated to be weak sensitizing to skin of guinea pig in guinea pig maximization test.

Justification for classification or non-classification

3,5-diiodosalicylic acid was predicted as weak sensitizing to guinea pig skin and thus the same can not be considered for classification.