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EC number: 204-582-9 | CAS number: 122-91-8
Endpoint summary
Administrative data
Description of key information
Adsorption: desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical (4-methoxyphenyl) methyl formate (CAS No. 122 -91 -8). The soil adsorption coefficient i.e Koc value of (4-methoxyphenyl)methyl formate was estimated to be 47.92 L/kg (log Koc=1.6805) by means of MCI method (at 25 deg C). This Koc value indicates that the substance (4-methoxyphenyl)methyl formate has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Additional information
Adsorption: desorption
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 adsorption end point which are summarized as below:
In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical (4-methoxyphenyl)methyl formate (CAS No. 122 -91 -8). The soil adsorption coefficient i.e Koc value of (4-methoxyphenyl)methyl formate was estimated to be 47.92 L/kg (log Koc=1.6805) by means of MCI method (at 25 deg C).
The Soil Adsorption Coefficient i.e Koc value of test substance (4-methoxyphenyl)methyl formate (CAS no. 122 -91 -8) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 148 (log Koc = 2.2 ± 1.0) at pH range 0-14 respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).
In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance (4-methoxyphenyl)methyl formate (CAS no. 122 -91 -8) was estimated. The adsorption coefficient (Koc) value of substance (4-methoxyphenyl)methyl formate was estimated to be 175.29 (Log Koc = 2.243) at pH 5.5 and 7.4, respectively.
Additional soil adsorption coefficient i.e Koc value of test chemical(4-methoxyphenyl)methyl formate (CAS No. 122-91-8)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The soil adsorption coefficient i.e Koc value of 4(4-methoxyphenyl)methyl formate was estimated to be 114 (log Koc = 2.056) (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 adsorption coefficient i.e KOC for test substance (4-methoxyphenyl)methyl formate (CAS no. 122 -91 -8) was estimated to be 108 L/kg (log Koc = 2.033) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance (4-methoxyphenyl)methyl formate has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
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),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 1,4-Dimethoxybenzene. The adsorption coefficient (Koc) value was calculated using an experimental logKow and regression derived equation. The adsorption coefficient (Koc) value of substance 1,4-Dimethoxybenzene was estimated to be 300 (Log Koc = 2.477).
On the basis of above overall 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 Koc value of test substance(4-methoxyphenyl)methyl formateranges from 47.92 –175.29indicating that the test chemical (4-methoxyphenyl)methyl formatehas a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
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