Registration Dossier

Diss Factsheets

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Currently viewing:

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
disregarded due to major methodological deficiencies
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
Remarks:
The predicted compound is outside the Applicability Domain of the model.
Justification for type of information:
Documentation about the justification is provided in attachment (See Supporting Information). The reliability assessment of the prediction is shown in the attached document as well (QPRF). QSAR model reporting format is shown in the QMRF file attached.

Data source

Reference
Reference Type:
other: QSAR model
Title:
VEGA in silico platform
Bibliographic source:
Daphnia Magna LC50 48h (DEMETRA) 1.0.4

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Constituent 1
Chemical structure
Reference substance name:
(5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
Cas Number:
2875066-35-4
Molecular formula:
C14H11F5O3
IUPAC Name:
(5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
Specific details on test material used for the study:
CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC

Test organisms

Test organisms (species):
Daphnia magna

Results and discussion

Effect concentrations
Dose descriptor:
LC50
Effect conc.:
ca. 2.16 mg/L
Remarks on result:
other: Data were predicted with VEGA DEMATRA model (v.1.0.4)

Any other information on results incl. tables

The prediction was deemed to be not reliable on the basis of the parameters listed above. The molecule does not fall into the applicability domain of the model.

Applicant's summary and conclusion

Validity criteria fulfilled:
no
Conclusions:
The Daphnia Magna LD50 was predicted to be 2.16 mg/l, but the result may be not reliable.
The predicted compound is outside the Applicability Domain of the model