Registration Dossier
Registration Dossier
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EC number: 202-627-7 | CAS number: 98-01-1
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study result included in SIAR (February 2008); QSAR included in EUSES
Data source
Reference
- Reference Type:
- other: QSAR estimation
- Title:
- Unnamed
- Year:
- 1 979
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6 May/July 2008
- Principles of method if other than guideline:
- QSAR calculations (QSAR included in EUSES)
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-furaldehyde
- EC Number:
- 202-627-7
- EC Name:
- 2-furaldehyde
- Cas Number:
- 98-01-1
- Molecular formula:
- C5H4O2
- IUPAC Name:
- 2-furaldehyde
- Details on test material:
- SMILES code: O=CC(OC=C1)=C1
logKow value of 1.0 used for calculation of BCF (as lowest possible input value is 1)
Algorithm: logBCF = 0.85logKow-0.70
Constituent 1
Test organisms
- Test organisms (species):
- other: fish
Study design
- Route of exposure:
- aqueous
- Test type:
- flow-through
- Water / sediment media type:
- natural water: freshwater
Test conditions
- Nominal and measured concentrations:
- Not applicable
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: QSAR developed by this study, using measured BCF values generated in flow-through studies in fresh-water, 32 days uptake period, in fathead minnow
- Result based on measured log Pow of: 0.41 (note that this value is lower than the applicability domain of the QSAR, which ranges between 1 and 6; therefore, a value of 1 is used in a worst-case estimation of the BCF).
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 1.41 L/kg
- Details on results:
- Validity of the model:
1. Defined Endpoint: Bioconcentration factor in fish;
2. Unambiguous algorithm: Linear regression QSAR; logBCF = 0.85logKow -0.70
3. Applicability domain: applicable to chemicals with logKow values between 1 and 6. The structural domain includes different organic groups, a.o. phenols, amines, benzenes, PCBs, benzenes, lindane, atrazine, phthalates, ethers, epoxides and DDTs.
4. Statistical characteristics: N=55, coefficient of determination (R2) = 0.897
Adequacy of prediction: When using a logKow value of 1, the substance Furaldehyde falls within the applicability domain described above and therefore, the predicted value can be considered reliable.
Applicant's summary and conclusion
- Conclusions:
- BCF 1.41 L/kg
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