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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite program developed by the USEPA.
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Prediction done using BCFBAF (v3.01) model
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: 2-furoic acid
- IUPAC name: furan-2-carboxylic acid
- Molecular formula: C5H4O3
- Molecular weight: 112.084 g/mole
- Smiles : c1(C(O)=O)ccco1
- Inchl: 1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
- Substance type: Organic
- Physical state: Solid powder (Creamish white)
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
natural water: freshwater
Test temperature:
25 deg.C
Reference substance (positive control):
not specified
Key result
Temp.:
25 °C
Type:
BCF
Value:
3.162
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non-bioaccumulative
Validity criteria fulfilled:
not specified
Conclusions:
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of 2-furoic acid (CAS No. 88-14-2). The bioconcentration factor (BCF) of 2-furoic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the 2-furoic acid is not expected to bioaccumulate in the food chain.
Executive summary:

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of 2-furoic acid (CAS No. 88-14-2). The bioconcentration factor (BCF) of 2-furoic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the 2-furoic acid is not expected to bioaccumulate in the food chain.

Description of key information

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of 2-furoic acid (CAS No. 88-14-2). The bioconcentration factor (BCF) of 2-furoic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the 2-furoic acid is not expected to bioaccumulate in the food chain

Key value for chemical safety assessment

BCF (aquatic species):
3.162 L/kg ww

Additional information

Following different studies includes predicted data for the target chemical to conclude the bioaccumulation of 2-furoic acid (CAS No. 88-14-2) in environment is summariezed below:

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of 2-furoic acid (CAS No. 88-14-2). The bioconcentration factor (BCF) of 2-furoic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the 2-furoic acid is not expected to bioaccumulate in the food chain.

Similar estimated data from ACD (Advanced Chemistry Development)/I-Lab predictive module.Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor over the entire pH scale (pH 0 -14) of the test substance2-furoic acid (CAS: 88-14-2)was estimated to be in a range of 1 -1.79. This value indicates that the test substance2-furoic acid (CAS: 88-14-2) was considered to be non-accumulative in aquatic organisms.

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance2-furoic acid (CAS No.  88-14-2)was estimated to be4.42dimensionless.The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance2-furoic acid (CAS No.  88-14-2) is non-bioaccumulative in nature.

On the basis of above results for target chemical 2-furoic acid (CAS No.  88-14-2) (from EPI suite, ACD LABC, COMPTOX) it can be concluded that the chemical 2-furoic acid (CAS No.  88-14-2) is non-bioaccumulative in nature.