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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species: fish
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 model developed by the USEPA.
Qualifier:
no guideline available
Principles of method if other than guideline:
Prediction done using BCFBAF Program (v3.00) model
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of the test material: 4-methoxyphenylacetic acid
- Molecular formula: C9H10O3
- Molecular weight: 166.175 g/mol
- SMILES: c1(ccc(OC)cc1)CC(O)=O
- InChI: 1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- Substance type: Organic
- Physical state: Solid
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
Reference substance (positive control):
not specified
Key result
Temp.:
25 °C
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

==============================

SMILES : O=C(O)Cc(ccc(OC)c1)c1

CHEM : Benzeneacetic acid, 4-methoxy-

MOL FOR: C9 H10 O3

MOL WT : 166.18

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.323 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 0.54 (BAF = 3.46 L/kg wet-wt)

Log Kow (experimental): 1.42

Log Kow used by BCF estimates: 1.42

Equation Used to Make BCF estimate:

Log BCF = 0.50 (Ionic; Log Kow dependent)

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
The estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-methoxyphenylacetic acid is not expected to bio accumulate in the food chain.
Executive summary:

The estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-methoxyphenylacetic acid is not expected to bio accumulate in the food chain.

Description of key information

From prediction model BCFBAF Program (v3.00) by EPI SUITE;2017 the estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-methoxyphenylacetic acid is not expected to bio accumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):
3.162 L/kg ww

Additional information

By applying weight of evidence approach Experimental and Predicted data of Bioaccumulation endpoint for the target chemical 4-methoxyphenylacetic acid (Cas no. 104-01-8) and its read across chemical were reviewed to summarize as follows:  

Study 1: 

From prediction model BCFBAF Program (v3.00) by EPI SUITE;2017 the estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt at 25 deg.C for target 4-methoxyphenylacetic acid.

 Study 2: 

Similarly other prediction model PBT profiler; 2017 indicate that the Bioaccumulation factor (BCF) was predicted to be 3.2 L/kg wet-wt at 25 deg.C for 4-methoxyphenylacetic acid.

 Study 3: 

Another predicted database i.e Scifinder; 2017 for target substance indicated the Bioconcentration factor (BCF) for target chemical 4-methoxyphenylacetic acid was predicted to be 5.10 at pH 1,5.09 at pH 2,4.93 at pH3, 3.76 at pH 4, 1.12 at pH 5, 1.0 at pH 6-10 and temperature 25 deg.C. 

 Study 4: 

And Chemspider - ACD/PhysChem Suite predicted model the Bioconcentration factor (BCF) for target chemical 4-methoxyphenylacetic acid was predicted to be 1.00 at pH 5.5 and 7.4 at temperature 25 deg.C. 

 

All 4 studies of target chemical based predicted models it is concluded that the test chemical 4-methoxyphenylacetic acid is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

 Study 5: 

And from HSDB database; 2017 the read across chemical 4-chlorophenoxyacetic acid (Cas no. 122-88-3) indicate an estimated BCF of 3 was calculated for 4-chlorophenoxyacetic acid, using a log Kow of 2.25 and a regression derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low.

Study 5 also support to predicted studies for target chemical.

Thus based on the above all studies it is concluded that the test substance chemical 4-methoxyphenylacetic acid (Cas no. 104-01-8) is non Bioaccumulative in aquatic environment.

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