Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: - | CAS number: -
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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:
- 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:
- Algae Acute (EC50) Toxicity model (IRFMN) 1.0.1
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
- 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
Constituent 1
- 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
Results and discussion
Effect concentrations
- Dose descriptor:
- EC50
- Effect conc.:
- ca. 0.508 mg/L
- Remarks on result:
- other:
- Remarks:
- Predicted by QSAR for Algae Acute EC50 IRFMN
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 substance was predicted to have a EC50 of ca. 0.5078 mg/L for Algae, but the result may be not reliable.
The predicted compound is outside the Applicability Domain of the model.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
