Registration Dossier
Registration Dossier
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EC number: 201-051-3 | CAS number: 77-71-4
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- 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
- Justification for type of information:
- Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF)
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- VEGA in silico platform v.1.1.4
- Year:
- 2 017
- Bibliographic source:
- BCF model (CAESAR) 2.1.14
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.
- Principles of method if other than guideline:
- A new hybrid system of QSAR models for predicting bioconcentration factors (BCF). Zhao, C., Boriani, E., Chana, A., Roncaglioni,A., Benfenati, E. Chemosphere (2008), 73, 1701-1707.
Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish. A. Lombardo et al. Chemistry Central Journal 2010, 4(Suppl 1):S1
Test material
- Reference substance name:
- 5,5-dimethylhydantoin
- EC Number:
- 201-051-3
- EC Name:
- 5,5-dimethylhydantoin
- Cas Number:
- 77-71-4
- Molecular formula:
- C5H8N2O2
- IUPAC Name:
- 5,5-dimethylimidazolidine-2,4-dione
Constituent 1
- Specific details on test material used for the study:
- CC1(C)NC(=O)NC1=O
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 0.02 other: log (L/Kg)
- Basis:
- other: QSAR
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
- Conclusions:
- The BCF valuue of the substance was predicted to be 0.02 log(L/kg).
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