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EC number: 204-567-7 | CAS number: 122-70-3
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic/sediment
The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 2-phenylethyl propanoate (CAS no. 122-70-3) (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 3.06 and a regression derived equation. The BCF (bioaccumulation factor) value of 2-phenylethyl propanoate was determined to be 46 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-phenylethyl propanoate is considered to be non-accumulative in aquatic organisms.
Additional information
Bioaccumulation: aquatic/sediment
Experimental study and predicted data for the target compound 2-phenylethyl propanoate (CAS No. 122-70-3) and various supporting studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In an experimental key study from authoritative database (HSDB, 2017), bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 2-phenylethyl propanoate (CAS no. 122-70-3). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 3.06 and a regression derived equation. The BCF (bioaccumulation factor) value of 2-phenylethyl propanoate was determined to be 46 dimensionless.
In a prediction done using the BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) the bioconcentration factor (BCF) of 2-phenylethyl propanoate was estimated to be 48.76 L/kg whole body w.w (at 25 deg C).
In another prediction done using Bio-concentration Factor (v12.1.0.50374) module ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), the BCF over the entire pH scale (pH 0 -14) of the test substance 2-phenylethyl propanoate (CAS no. 122 -70 -3) was estimated to be 83.4.
In a supporting study from authoritative database (HSDB, 2017) for the read across chemical 2-phenylethan-1-ol (CAS no. 60-12-8), the bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 2-phenylethan-1-ol. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 1.36 and a regression derived equation. The BCF (bioaccumulation factor) value of 2-phenylethan-1-ol was determined to be 6 dimensionless.
For the another read across chemical benzyl (2E)-3-phenylprop-2-enoate (CAS no. 103-41-3), bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical benzyl (2E)-3-phenylprop-2-enoate (CAS no. 103-41-3) (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.1 and a regression derived equation. The BCF (bioaccumulation factor) value of benzyl (2E)-3-phenylprop-2-enoate was determined to be 270 dimensionless.
On the basis of above results for target chemical 2-phenylethyl propanoate (from authoritative database HSDB, EPI suite and ACD labs,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the BCF value of test substance 2 -phenylethyl propanoate ranges from 46 – 83.4 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-phenylethyl propanoate is not expected to bioaccumulate in the food chain.
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