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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Biodegradation:

Biodegradation in water:

The test item 2-Methylanisole (578-58-5) undergoes 50.57 % biodegradation after 28 days in the test condition. Thus, the test item was considered to be inherently biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2-methylanisole (CAS No. 578-58-5). If released in to the environment, 48.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of test chemical 2-methylanisole in sediment is estimated to be135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.38 %), indicates that test chemical 2-methylanisole is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical 2-methylanisole (CAS No.578 58-5) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 44.1% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 2-methylanisole in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical 2-methylanisole, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 2-methylanisole (CAS No. 578-58-5) is 29.84 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-methylanisole is non bioaccumulative in food chain.

Transport and distribution:

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

Biodegradation:

Biodegradation in water:

28-days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the test item. The study was performed at a temperature of 20°C. The test system included control, test item and reference item. Polyseed were used for this study. 1 polyseed capsule were added in 500 ml D.I water and then stirred for 1 hour for proper mixing and functioning of inoculum. This gave the bacterial count as 10E7 to 10E8 CFU/ml. At the regular interval microbial plating was also performed on agar to confirm the vitality and CFU count of microorganism.The concentration of test and reference item (Sodium Benzoate) chosen for both the study was4 mg/L, while that of inoculum was 32 ml/l. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. The % degradation of procedure control (reference item) was also calculated using BOD & ThOD and was determined to be 79.51%. Degradation of Sodium Benzoate exceeds 64.46% on 7 days & 75.30 on 14th day. The activity of the inoculum is thus verified and the test can be considered as valid. The BOD28 value of test chemical was observed to be 1.32 mgO2/mg. ThOD was calculated as 2.61 mgO2/mg. Accordingly, the % degradation of the test item after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 50.57%. Based on the results, the test item, under the test conditions, was considered to be inherently biodegradable in nature.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2-methylanisole (CAS No. 578-58-5). If released in to the environment, 48.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of test chemical 2-methylanisole in sediment is estimated to be135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.38 %), indicates that test chemical 2-methylanisole is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical 2-methylanisole (CAS No.578 58-5) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 44.1% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 2-methylanisole in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical 2-methylanisole, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

Predicted data from two different sources for the target compound 2-methylanisole (CAS No: 578-58-5) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done by using BCFBAF Program (v3.00) model of EPI suite 2017 (Estimation Program Interface) the estimated bio concentration factor (BCF) for 2-methylanisole (CAS No. 578-58-5) is 29.84 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.

 

Next prediction done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development/I-lab predictive module the bio-concentration Factor (BCF) at range pH 1-14 of the chemical 2-methylanisole (CAS no.578-58-5) estimated to be 55.1 dimensionless.

 

Another prediction done by using Scifinder database of American Chemical Society (ACS, 2017) the Bioconcentration factor (BCF) for test chemical 2-methylanisole (CAS No: 578-58-5) was predicted in aquatic organisms by at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 2-methylanisole at pH 1-10 and temperature 25 °C was estimated to be 65.8 dimensionless.

Next prediction done by using Chemspider- ACD/PhysChem Suite of Royal Society of Chemistry, 2017 the Bioconcentration factor (BCF) for test chemical 2-methylanisole (CAS No: 578-58-5) was predicted in aquatic organisms by  at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance 2-methylanisole at pH 5.5 and pH 7.4 was estimated to be 66.47 dimensionless.

One more prediction done 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 bioaccumulation i.e. BCF for test substance 2-methylanisole (CAS no.578-58-5) was estimated to be 5.82 dimensionless it is based on the 5 OECD principles.

In a supporting weight of evidence study done from Hazardous Substance Data Bank (HSDB, 2017) the BCF value of read across chemical Anisol (CAS no. 100-66-3) estimated was 24.0 dimensionless by using log Kow of 2.11 and regression derived equation.

In another supporting weight of evidence study done from same source as mentioned above (HSDB, 2017) the BCF value of read across chemical Benzylmethylether (CAS no.103-73-1) estimated was 48.0 dimensionless by using log Kow of 2.51 and regression derived equation.

On the basis of above results for target chemical 2-methylanisole (CAS No: 578-58-5) (from EPI suite, ACD lab, Scifinder, Comptox Chemistry dashboard and Chemspider, 2017), it can be concluded that the BCF value of test substance 2-methylanisole ranges from 5.82 to 66.47 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-methylanisole is expected to be nonbioaccumulative in the food chain.

Transport and distribution:

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.