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Environmental fate & pathways

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Description of key information

Bioaccumulation: aquatic / sediment

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No. 55150 -29 -3). The bioconcentration factor (BCF) of 2-Ethoxy-1-naphthoyl Chloride was estimated to be 58.63 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 2-Ethoxy-1-naphthoyl Chloride is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 2-Ethoxy-1-naphthoyl Chloride (CAS No. 55150-29-3) were reviewed for the bioaccumulation end point which are summarized as below:

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No. 55150 -29 -3). The bioconcentration factor (BCF) of 2-Ethoxy-1-naphthoyl Chloride was estimated to be 58.63 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 2-Ethoxy-1-naphthoyl Chloride is not expected to bioaccumulate in the food chain.

 

In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCF over the entire pH scale (pH 0 -14) of the test substance 2-Ethoxy-1-naphthoyl Chloride (CAS no. 55150 -29 -3) was estimated to be 383. This value indicates that the test substance 2 -Ethoxy-1 -naphthoyl Chloride was considered to be non-accumulative in aquatic organisms.

 

Bioconcentration Factor (BCF) of test chemical 2-Ethoxy-1-naphthoyl Chloride was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 2-Ethoxy-1-naphthoyl Chloride was estimated to be 326.21 at both pH 5.5 and 7.4, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-Ethoxy-1-naphthoyl Chloride is not expected to bioaccumulate in the food chain.

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical2-Ethoxy-1-naphthoyl Chloride(CAS No. 55150-29-3).The bioconcentration factor (BCF) of 2-Ethoxy-1-naphthoyl Chloride was estimated to be 252 (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 2-Ethoxy-1-naphthoyl Chloride is not expected to bioaccumulate in the food chain.

 

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 substance 2-Ethoxy-1-naphthoyl Chloride was estimated to be 72.3 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 2-Ethoxy-1-naphthoyl Chloride is non-bioaccumulative in nature.

 

On the basis of above results for target chemical 2-Ethoxy-1-naphthoyl Chloride(from EPI suite, ACD labs,ChemSpider and CompTox Chemistry Dashboard,  2017), it can be concluded that the BCF value of test substance 2-Ethoxy-1-naphthoyl Chloride ranges from 58.63 – 383 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical2-Ethoxy-1-naphthoyl Chlorideis not expected to bioaccumulate in the food chain.