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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Ecotoxicological information

Long-term toxicity to fish

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Administrative data

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

Additional information