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Description of key information

The Acute Oral Toxicity potential of 6FDA was evaluated by obtaining predictions using T.E.S.T “Oral LD50 rat” QSAR model and ProTox “Oral Acute Toxicity (Rodent)” QSAR model. The predictions were obtained using the nearest neighbour method based on the structural similarity between analogue substances with known LD50 and the target chemical 6FDA.



The T.E.S.T. model predicted an LD50 (rat) for 6FDA of 1637.93 mg/kg bw and the ProTox model estimated an LD50 (rodent) of 1900 mg/kg bw for 6FDA. The values ranged from 300 to 2000 mg/kg bw, so according to the criteria established in the CLP Regulation, 6FDA can be expected to be classified as Acute Toxicity Category 4.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
Endpoint:
acute toxicity: oral
Type of information:
other: Expert Assessment
Adequacy of study:
weight of evidence
Study period:
March 2022
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Based on structural alerts and QSAR models
Qualifier:
no guideline followed
Principles of method if other than guideline:
Predictions for Acute Oral Toxicity endpoint were performed for 6FDA using T.E.S.T and ProTox softwares. The consensus and hierarchical clustering methods in T.E.S.T could not give reliable
predictions, therefore the nearest neighbour method based on structure similarity between analogue substances and the target chemical was used.
GLP compliance:
no
Test type:
other: Expert Assessment based on structural alerts and QSAR models
Limit test:
no
Dose descriptor:
LD50
Effect level:
1 900 mg/kg bw
Based on:
other: ProTox model
Remarks on result:
other: Predicition
Key result
Dose descriptor:
LD50
Effect level:
1 637.93 mg/kg bw
Based on:
other: T.E.S.T. model
Remarks on result:
other: Prediction

The T.E.S.T. model predicted an LD50 (rat) for 6FDA of 1637.93 mg/kg bw and the ProTox
model estimated an LD50 (rodent) of 1900 mg/kg bw for 6FDA. The values ranged from 300
to 2000 mg/kg bw, so according to the criteria established in the CLP Regulation, 6FDA can
be expected to be classified as Acute Toxicity Category 4.

Interpretation of results:
Category 4 based on GHS criteria
Conclusions:
6FDA can be expected to be classified as Acute Toxicity Category 4.
Executive summary:

The Acute Oral Toxicity potential of 6FDA was evaluated by obtaining predictions using T.E.S.T “Oral LD50 rat” QSAR model and ProTox “Oral Acute Toxicity (Rodent)” QSAR model. The predictions were obtained using the nearest neighbour method based on the structural similarity between analogue substances with known LD50 and the target chemical 6FDA.



The T.E.S.T. model predicted an LD50 (rat) for 6-FDA of 1637.93 mg/kg bw and the ProTox model estimated an LD50 (rodent) of 1900 mg/kg bw for 6-FDA. The values ranged from 300 to 2000 mg/kg bw, so according to the criteria established in the CLP Regulation, 6-FDA can be expected to be classified as Acute Toxicity Category 4.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed
Dose descriptor:
LD50
Value:
1 637.93 mg/kg bw

Additional information

Justification for classification or non-classification