Vinyl ethylene carbonate

Long-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

long-term toxicity to fish, other

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. SOFTWARE
VEGA 1.2.0 BETA (build date: 12/12/2021)

2. MODEL (incl. version number)
Fish Chronic (NOEC) Toxicity model (IRFMN) 1.0.2

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: O=C1OCC(O1)C=C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attachment "Guide to Developmental Toxicity model (CAESAR)".

5. APPLICABILITY DOMAIN
For IRFMN method:
- Only moderately similar compounds with known experimental value in the training set have been found
- a prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments (1 unknown fragments and 2 infrequent_fragments found)

6. ADEQUACY OF THE RESULT
Predicted NOEC is 2.25 mg/L, but the result may be not reliable:
- Only moderately similar compounds with known experimental value in the training set have been found
- a prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments (1 unknown fragments and 2 infrequent_fragments found)

Principles of method if other than guideline:

- Software tool(s) used including version: VEGA 1.2.0 BETA (build date: 12/12/2021)

- Model(s) used:
Fish Chronic (NOEC) Toxicity model (IRFMN) 1.0.2

- Model description:
Please refer to the attachment "Guide to Developmental Toxicity model (CAESAR)".

- Justification of QSAR prediction:
Predicted NOEC is 2.25 mg/L, but the result may be not reliable:
- Only moderately similar compounds with known experimental value in the training set have been found
- a prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments (1 unknown fragments and 2 infrequent_fragments found)

Dose descriptor:

other: Prediction of Fish Chronic (NOEC) Toxicity by QSAR

Basis for effect:

other: Prediction of Fish Chronic (NOEC) Toxicity by QSAR

Remarks on result:

other: Prediction of Fish Chronic (NOEC) Toxicity by QSAR

Validity criteria fulfilled:

yes

Remarks:

The experimental values came from aquatic toxicity tests performed according to OECD-GLP standards and the OECD official guidelines.

Conclusions:

Predicted NOEC is 2.25 mg/L, but the result may be not reliable.

Executive summary:

Predicted NOEC is 2.25 mg/L, but the result may be not reliable:
- Only moderately similar compounds with known experimental value in the training set have been found
- a prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments (1 unknown fragments and 2 infrequent_fragments found)

Description of key information

Predicted NOEC is 2.25 mg/L, but the result may be not reliable:
- Only moderately similar compounds with known experimental value in the training set have been found
- a prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments (1 unknown fragments and 2 infrequent_fragments found)

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Dose descriptor:

NOEC

Effect concentration:

2.25 mg/L