Registration Dossier
Registration Dossier
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EC number: 250-910-9 | CAS number: 32065-66-0
Endpoint summary
Administrative data
Description of key information
Skin irritation was estimated by using ACD/Percepta QSAR model and Toxtree decision rule system.
ACD/Percepta model for skin irritation estimates the potential of a chemical to cause skin irritation in a standard rabbit Draize test. It calculates the probability for a chemical to cause moderate or above irritation to skin of rabbit at a standard dose of 100 and 500 mg, respectively. Predictions provided by ACD/Skin Irritation probabilistic model are not supported by a specific parameter for reliability assessment.
Toxtree predicts the skin irritation caused by a chemical according to the EU risk phrases (R34: Causes burns; R35: Causes severe burns; R38: Irritating to skin), based on physicochemical property exclusion rules and structural inclusion rules.
Key value for chemical safety assessment
Skin irritation / corrosion
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
ACD/Percepta predicted 2-Dimethoxymethyl-quinoxaline 1,4-dioxide as not skin irritant, with a probability to cause skin irritation equal to 0.32. No training compounds with similarity greater than 0.5 with respect to the target 2-Dimethoxymethyl-quinoxaline 1,4-dioxide were found. Thus, the prediction was assessed as not reliable.
Toxtree predicted the target 2-Dimethoxymethyl-quinoxaline 1,4-dioxide as not skin irritant since it didn’t fulfil any inclusion rule while it fulfilled one exclusion rule. In more details, the target 2-Dimethoxymethyl-quinoxaline 1,4-dioxide belongs to the class of chemicals containing Carbon (C), Hydrogen (H), Oxygen (O) and Nitrogen (N) atoms with a vapour pressure
Justification for selection of skin irritation / corrosion endpoint:
QSAR in silico predictions for 2-Dimethoxymethyl-quinoxaline 1,4-dioxide estimated by using ACD/Percepta QSAR model and Toxtree decision rule system; October 2015
Justification for classification or non-classification
The skin irritation potential of the target chemical was predicted employing two different in silico approaches: the QSAR statistical model as provided by ACD/Percepta and the decision rule system provided by Toxtree. The two predictors were employed in order to apply a weight of evidence approach to enhance the reliability of the prediction. Since ACD/Percepta prediction resulted to be not reliable, based on Toxtree prediction it was concluded that the target 2-Dimethoxymethyl-quinoxaline 1,4-dioxide is predicted as NOT SKIN IRRITANT.
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