2-methylanisole

Endpoint summary

Description of key information

Adsorption/desorption:

The Adsorption Coefficient of test substance 2-Methylanisole (578-58-5) was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.010 ± 0.001 at 25°C. Thus based on the result it is concluded that the test substance 2-Methylanisole (578-58-5) has a moderate sorption to soil and sediment and therefore has slow migration potential to ground water.

Additional information

Adsorption/desorption:

Experimental and Predicted data for target chemical 2-methylanisole (CAS No. 578-58-5) were reviewed for adsorption endpoint and their results were summarized below.

In an experimental study report,the adsorption coefficient Koc in soil and in sewage sludge of test chemical 2-Methylanisole (578-58-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The solutions of the test substance and reference substances were prepared in appropriate solvents.A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile upto 10 ml. Thus, the test solution concentration was 394 mg/l.(calculated according to its density). The pH of test substance was 6.9.Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances Acetanilide,4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline,p-toluamide, Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide,Nitrobenzene, 4-Nitrobenzamide, 1-naphthylamine, 1-naphthol, Direct Red 81, Benzoic acid methylester,Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene,Pentachlorophenol, Phenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, N-methylbenzamide, Benzamide,phenanthrene, DDT were chosen having Koc value range from 1.25 to 5.63.The Log Koc value of test chemical was determined to be 3.010 ± 0.001 dimensionless at 25°C.This log Koc value indicates that the substance 2-Methylanisole (578-58-5) has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

In a prediction done by using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) The Soil Adsorption Coefficient i.e. Koc value of test chemical 2-methylanisole (CAS No. 578-58-5) estimated as 152.9 L/kg (log Koc= 2.1844) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 2-methylanisole has low sorption to soil and therefore have moderate migration potential to ground water.

Another prediction done by using Adsorption Coefficient module (v12.1.0.50374) program of Advanced chemistry development /I-lab predictive module the Soil Adsorption Coefficient i.e. Koc value of test substance 2-methylanisole (CAS no. 578-58 5) estimated was Koc 614 dimensionless (log Koc= 2.7881). This log Koc value indicates that the test substance 2-methylanisole has a moderate sorption to soil and therefore have 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-methylanisole (CAS no. 578 -58 -5) was estimated to be 697 (log Koc =2.8432) at pH 1-10 at temperature 25 deg.C. This Koc value at entire range of pH condition indicates that the substance 2-methylanisole has moderate sorption to soil and sediment therefore have slow migration potential to ground water.

Another prediction done by using Chemspider-ACD/Phy chem suite Royal Society of Chemistry the soil adsorption co-efficient i.e., Koc value of test substance 2-methylanisole (CAS no. 578-58-5) was estimated to be 701.89 dimensionless (log Koc= 2.8462) at pH 5.5 and 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical 2-methylanisole has moderate sorption to soil and sediments and therefore slow migration potential to ground water.

On the basis of above results for target chemical 2-methylanisole (CAS No. 578-58-5) (from experimental study, EPI suite, ACD lab, SciFinder, and Chemspider 2017), it can be concluded that the test substance 2-methylanisole log Koc ranges from 2.1844 to 3.010± 0.001 indicating that the test chemical 2-methylanisole has low to moderate sorption to soil and sediment and therefore have slow to moderate migration potential to groundwater.