Registration Dossier
Registration Dossier
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: 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
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.
