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EC number: 203-008-4 | CAS number: 102-16-9
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- 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:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.00) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Benzyl phenylacetate
- Molecular formula (if other than submission substance): C15H14O2
- Molecular weight (if other than submission substance): 226.2736 g/mol
- Smiles notation (if other than submission substance):c1(CC(OCc2ccccc2)=O)ccccc1
- InChI:1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
- Substance type: Organic
- Physical state: Liquid - 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:
- 146.8 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for Benzyl phenylacetate is 146.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Benzyl phenylacetate is not expected to bio accumulate in fish and in the food chain.
- Executive summary:
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for Benzyl phenylacetate is 146.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Benzyl phenylacetate is not expected to bio accumulate in fish and in the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : O=C(OCc(cccc1)c1)Cc(cccc2)c2
CHEM : Benzeneacetic acid, phenylmethyl ester
MOL FOR: C15 H14 O2
MOL WT : 226.28
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 2.17 (BCF = 147 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0247 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 1.05 (BAF = 11.1 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 3.79
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 2.167 (BCF = 146.8 L/kg wet-wt)
Description of key information
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for Benzyl phenylacetate is 146.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Benzyl phenylacetate is not expected to bio accumulate in fish and in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 146.8 L/kg ww
Additional information
Three studies including predicted data from validated models for bioaccumulation (BCF) endpoint of target chemical Benzyl phenylacetate (Cas no. 102-16-9) were summarized as follows:
First study from prediction model BCFBAF (v3.00) indicated the estimated bio concentration factor (BCF) for Benzyl phenylacetate as 146.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that Benzyl phenylacetate is not expected to bio accumulate in the aquatic environment.
Other predicted database PBT profiler indicate the Bioaccumulation factor (BCF) for test substance Benzyl phenylacetate was estimated to be 150 L/kg wet-wt at 25 deg.C.
And data from Scifinder database suggest the Bioconcentration factor (BCF) for target chemical Benzyl phenylacetate was predicted to be 254 at pH 1-10 and temperature 25 deg.C.
Thus all available studies for bioaccumulation endpoint gives the BCF factor is in the range of 146.8 -254 (L/kg wet-wt or dimensionless) which concluded that the test substance Benzyl phenylacetate (Cas no. 102-16-9) is expected to be non Bioaccumulative in aquatic environment.
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