Registration Dossier

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:
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
GLP compliance:
no
Type of study:
guinea pig maximisation test
Species:
guinea pig
Strain:
not specified
Sex:
not specified
Route:
other:
Vehicle:
no data
Route:
other: unspecified
Vehicle:
no data
Reading:
1st reading
Group:
test group
Clinical observations:
Non sensitizer
Remarks on result:
other: Reading: 1st reading. Group: test group. Clinical observations: Non 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 ( not "e") )  )  and ("f" and ( not "g") )  )  and "h" )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Carbonyl, aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Dithioesters OR SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Activated alkyl esters by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Not categorized by OECD HPV Chemical Categories

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Primary amines by OECD HPV Chemical Categories

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Halogens by Groups of elements

Domain logical expression index: "h"

Similarity boundary:Target: C(=O)(O)CC(=O)CC(=O)O
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.02

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.76

Interpretation of results:
not sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The substance 3-oxoglutaric acid is found to be non-sensitising to the skin of guinea pig based upon the predicted results that were obtained using the QSAR model.
Executive summary:

The substance 3-oxoglutaric acid is found to be non-sensitising to the skin of guinea pig based upon the predicted results that were obtained using the QSAR model.

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

Based upon the predicted data using the QSAR model along with other available data from an authoritative database (DEPA), it can be conlcuded that the chemical 3-oxoglutaric acid shall not exhibit skin sensitization properties.


Migrated from Short description of key information:
Based upon the predicted data using the QSAR model along with other available data from an authoritative database (DEPA), it can be conlcuded that the chemical 3-oxoglutaric acid shall not exhibit skin sensitization properties.

Justification for selection of skin sensitisation endpoint:
Model considered reliable by OECD and has been used as a weight of evidence along with other data

Justification for classification or non-classification

Based upon the predicted data using the QSAR model along with other available data from an authoritative database (DEPA), it can be conlcuded that the chemical 3-oxoglutaric acid shall not exhibit skin sensitization properties. Thus, the chemical is not considered to be classified as a skin sensitizer.