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EC number: 203-124-5 | CAS number: 103-56-0
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical (2E)-3-phenylprop-2-en-1-yl propanoate (CAS No. 103-56-0) was estimated using EPI suite KOCWIN Program (v2.00) as 726.2 L/kg (log Koc= 2.8611) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical (2E)-3-phenylprop-2-en-1-yl propanoate has moderate sorption to soil and therefore have slow migration potential to ground water.
Additional information
Adsorption/desorption:
Various predicted data for the target compound (2E)-3-phenylprop-2-en-1-yl propanoate (CAS No.103-56-0) and supporting weight of evidence for its read across chemical were reviewed for the Adsorption end point which are summarized as below.
The Soil Adsorption Coefficient i.e. Koc value of test chemical (2E)-3-phenylprop-2-en-1-yl propanoate (CAS No.103-56-0) was estimated using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) as 726.2 L/kg (log Koc= 2.8611) by means of MCI method at 25 deg. C.
Another Soil Adsorption Coefficient i.e Koc value of test substance (2E)-3-phenylprop-2-en-1-yl propanoate (CAS no.103-56-0) was estimated using Adsorption Coefficient module (v12.1.0.50374) of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017 program as Koc 1231.0 dimensionless (log Koc= 3.0902).
Next predicted soil adsorption coefficient obtained by using Sci Finder database of ACS ( American Chemical Society, 2017) of test chemical (2E)-3-phenylprop-2-en-1-yl propanoate (CAS no.103-56-0) was 1230 (log Koc =3.0899) at pH 1-10 at temperature 25 deg.C.
One more prediction done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry, 2017 to estimate the soil adsorption co-efficient i.e., Koc value of test substance (2E)-3-phenylprop-2-en-1-yl propanoate (CAS no 103-56-0) the estimated Koc value obtained was to 1125.26 dimensionless (log Koc=3.0513) at pH 5.5 and 7.4 and temperature 25 deg.C
In a supporting weight of evidence study the Koc value for read across chemical ß-Nitrostyrol (CAS no.102-96-5) is estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value is 737 dimensionless and log Koc is 2.8674 this log Koc value suggests that ß-Nitrostyrol is expected to have moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
On the basis of above results for target chemical substance (2E)-3-phenylprop-2-en-1-yl propanoate (CAS No: 103-56-0) (from EPI suite, ACD labs, Sci Finder database and Chemspider 2017) and for its read across chemical ( from authoritative database) it can be concluded that the Koc value of test substance (2E)-3-phenylprop-2-en-1-yl propanoate ranges from 726.2 to 1231 dimensionless (log Koc range =2.8611- 3.0902) Thus by considering log Koc value range it is concluded that the test substance (2E)-3-phenylprop-2-en-1-yl propanoate has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
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