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EC number: 231-246-9 | CAS number: 7460-74-4
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 2-phenylethyl pentanoate (CAS No. 7460-74-4) was estimated using EPI suite KOCWIN Program (v2.00) as 1324 L/kg (log Koc= 3.1217) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 2-phenylethyl pentanoate 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 of 2-phenylethyl pentanoate (CAS No. 7460-74-4) and supporting weight of evidence study for its read across chemical were reviewed for the Adsorption end point which are summarized as below.
In first weight of evidence study the Soil Adsorption Coefficient i.e. Koc value of test chemical 2-phenylethyl pentanoate (CAS No. 7460-74-4) was estimated using EPI suite KOCWIN Program (v2.00) as 1324 L/kg (log Koc= 3.1217) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 2-phenylethyl pentanoate has moderate sorption to soil and therefore have slow migration potential to ground water.
In another weight of evidence study the Soil Adsorption Coefficient i.e Koc value of test substance 2-phenylethyl pentanoate (CAS no. 7460 -74 -4) was estimated using Adsorption Coefficient module (v12.1.0.50374) of(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)program as Koc 3125 dimensionless (log Koc= 3.4948). This log Koc value indicates that the test substance 2-phenylethyl pentanoate has a strong sorption to soil and therefore have negligible to slow migration potential to groundwater.
Next prediction done by using Sci Finder database of American Chemical Society (ACS, 2017) the soil adsorption co-efficient i.e., Koc value of test chemical 2-phenylethyl pentanoate was estimated to be 2880.0 dimensionless (log Koc = 3.4593) at pH 1-10 at temperature 25 deg.c. this log Koc value suggests that this test chemical has strong sorption to soil therefore have negligible to slow migration potential to ground water.
Similarly, by using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance 2-phenylethyl pentanoate was estimated to be 2538.74 dimensionless (og Koc= 3.4044) at pH 5.5 and 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical 2-phenylethyl pentanoate has strong sorption to soil and sediments therefore have negligible to slow migration potential to ground water.
Supporting weight of evidence study has done from authoritative database (HSDB, 2017) for read across chemical 2-phenylethyl propanoate. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of 2-phenylethyl propanoate was determined to be 476 (Log Koc = 2.677). This Koc value indicates that the read across substance 2-phenylethyl propanoate has moderate sorption to soil and sediment and therefore have slow migration to ground water.
On the basis of above results for target chemical 2-phenylethyl pentanoate (CAS No. 7460-74-4) (from EPI suite, ACD labs, Sci Finder database and Chemspider 2017) and for its read across chemicals (From authoritative database HSDB) it can be concluded that the log Koc value of test substance 2-phenylethyl pentanoate ranges from 3.1217 to 3.4948 indicating that the chemical 2-phenylethyl pentanoate has moderate to strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
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