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EC number: 204-578-7 | CAS number: 122-84-9
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 1-(4-methoxyphenyl)acetone (CAS No. 122-84-9) was estimated using EPI suite KOCWIN Program (v2.00) as 59.33 L/kg (log Koc= 1.7732) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1-(4-methoxyphenyl)acetone has low sorption to soil and therefore test chemical has moderate migration potential to ground water.
Additional information
Adsorption/desorption:
Various predicted data for the target compound of 1-(4-methoxyphenyl)acetone (CAS No. 122-84-9) one experimental study for its structurally similar read across chemical were reviewed for the Adsorption end points are summarized as below
In first predicted data study the Soil Adsorption Coefficient i.e. Koc value of test chemical 1-(4-methoxyphenyl)acetone (CAS No. 122-84-9) was estimated using Estimation Program Interface (EPI suite, 2017) KOCWIN Program (v2.00) as 59.33 L/kg (log Koc= 1.7732) by means of MCI method at 25 deg. C.
In another prediction Soil Adsorption Coefficient i.e Koc value of test substance 1-(4-methoxyphenyl)acetone (CAS no.122 -84 -9) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of Advanced Chemistry Development (ACD) /I-lab predictive module as Koc 130 dimensionless (log Koc= 2.1139) at pH range 0 -14.
Next prediction was done by using Sci Finder database of American Chemical Society (ACS, 2017) in this study the soil adsorption co-efficient i.e., Koc value of test chemical 1-(4-methoxyphenyl)acetone (CAS no. 122 -84 -9) was estimated to be 190 dimensionless (log Koc = 2.2787) at pH range 1-10 at temperature 25 deg.c.
Similarly by using Chemspider-ACD/Phy chem suite of Royal society of Chemistry (RCS, 2017) the soil adsorption co-efficient i.e., Koc value of test substance 1-(4-methoxyphenyl)acetone was estimated to be 163.96 dimensionless (log Koc= 2.2147) at pH 5.5 and 7.4 and temperature 25 deg.C
Last prediction was 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 1-(4-methoxyphenyl)acetone (CAS no. 122 -84 -9) was estimated to be 101 L/kg (log Koc = 2.0043) .The predicted KOC result was based on the 5 OECD principles.
Further the supporting weight of evidence study was done from authoritative database (HSDB, 2017) in this study the Koc value for read across chemical 1-(4-methoxyphenyl)ethan-1-one (CAS no.100-06-1) was determined in black agricultural soil obtained from northeastern china. The calculated Koc value was 270 dimensionless and log Koc is 2.43 this log Koc value suggests that read across chemical 1-(4-methoxyphenyl)ethan-1-one is expected to have low sorption to soil and sediment and therefore read across chemical 1-(4-methoxyphenyl)ethan-1-one has moderate migration potential to ground water.
On the basis of above results for target chemical 1-(4-methoxyphenyl)acetone (CAS No. 122-84-9) (from EPI suite ACD labs, Scifinder, Comptox Chemistry Dashboard, and Chemspider, 2017) it can be concluded that the log Koc value of test substance1-(4-methoxyphenyl)acetone ranges from 1.7732 to 2.2787 indicating that the chemical 1-(4-methoxyphenyl)acetonehas low sorption to soil and sediment and therefore have moderate migration potential to ground water.
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