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EC number: 204-582-9 | CAS number: 122-91-8
Endpoint summary
Administrative data
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 (4-methoxyphenyl)methyl formate (CAS No. 122 -91 -8). The bioconcentration factor (BCF) of (4-methoxyphenyl)methyl formate was estimated to be 5.398 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (4-methoxyphenyl)methyl formate is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic/sediment
Various predicted data for the target compound (4-methoxyphenyl)methyl formate (CAS No. 122-91-8) and supporting weight of evidence study for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) the bioconcentration factor (BCF) of (4-methoxyphenyl)methyl formate was estimated to be 5.398 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) module ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCF over the entire pH scale (pH 0 -14) of the test substance (4-methoxyphenyl)methyl formate (CAS no. 122 -91 -8) was estimated to be 7.57.
Bioconcentration Factor (BCF) of test chemical (4-methoxyphenyl)methyl formate was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance (4-methoxyphenyl)methyl formate was estimated to be 9.57 at both pH 5.5 and 7.4, respectively.
Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical (4-methoxyphenyl)methyl formate (CAS No. 122 -91 -8). The bioconcentration factor (BCF) of (4-methoxyphenyl)methyl formate was estimated to be 5.27 (at 25 deg C).
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 (4-methoxyphenyl)methyl formate was estimated to be 2.16 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance (4-methoxyphenyl)methyl formate is non-bioaccumulative in nature.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical 1,4-Dimethoxybenzene (CAS no.150-78-7), the experiment was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 1,4-Dimethoxybenzene. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 2.03 and a regression derived equation. The BCF (bioaccumulation factor) value of 1,4 -Dimethoxybenzene was determined to be 20 dimensionless, which does not exceeds the bioconcentration threshold of 2000, indicating that the chemical 1,4 -Dimethoxybenzene is considered to be non-bioaccumulative in aquatic organisms.
On the basis of above results for target chemical(4-methoxyphenyl)methyl formate(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard, 2017) and for its read across substance (from authoritative database HSDB, 2107) it can be concluded that the BCF value of test substance (4-methoxyphenyl)methyl formate ranges from 2.16 – 9.57 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (4-methoxyphenyl)methyl formate is not expected to bioaccumulate in the food chain.
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