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EC number: 254-898-6 | CAS number: 40379-24-6
Endpoint summary
Administrative data
Description of key information
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 7-methyloctyl acetate (CAS No. 40379 -24 -6). The bioconcentration factor (BCF) of 7-methyloctyl acetate was estimated to be 286.4 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 7-methyloctyl acetate is not expected to bioaccumulate in the food chain.
Additional information
Various predicted data for the target compound 7-methyloctyl acetate (CAS no. 40379 -24 -6) 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 BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 7-methyloctyl acetate (CAS No. 40379 -24 -6). The bioconcentration factor (BCF) of 7-methyloctyl acetate was estimated to be 286.4 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 7-methyloctyl acetate is not expected to bioaccumulate in the food chain.
In a second predicted report Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor over the entire pH scale of the test substance 7-methyloctyl acetate estimated to be 989. This value indicates that the test substance 7-methyloctyl acetate was considered to be non-accumulative in aquatic organisms.
Similarly Bioconcentration Factor (BCF) of test chemical 7-methyloctyl acetate (CAS no. 40379 -24 -6) was estimated using Chemspider database. The bioconcentration factor of test substance 7-methyloctyl acetate was estimated to be 1007.03 at both pH 5.5 and 7.4, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 7-methyloctyl acetate 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 7-methyloctyl acetate was estimated to be 96.6 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 7-methyloctyl acetate is non-bioaccumulative in nature.
Similarly in a supporting weight of evidence study from authoritative database HSDB, 2017 for the read across chemical 3 -methyl-1-butyl acetate, the bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 3 -methyl-1-butyl acetate (CAS no. 123-92-2). The bioaccumulation factor (BCF) value was calculated using a log Kow of 2.25 and a regression equation. The estimated BCF (bioaccumulation factor) value of 3-methyl-1-butyl acetate in fish was determined to be 14 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 3-methyl-1-butyl acetate is considered to be non-accumulative in aquatic organisms.
On the basis of above results for target chemical (CAS no. 40379 -24 -6) (from EPI suite, ACD labs and CompTox Chemistry Dashboard and Chemspider 2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the BCF value of test substance (CAS no. 40379 -24 -6) ranges from 96.6-1007.03 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical is not expected to bioaccumulate in the food chain.
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