Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
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:
1979

Materials and methods

Test guideline
Qualifier:
according to
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
Name:
Unnamed
Type:
Constituent
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

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