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Environmental fate & pathways

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Description of key information

Adsorption / desorption

Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical Methyl methanesulfonate (CAS no. 66-27-3). The adsorption coefficient (Koc) value was calculated using astructure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance Methyl methanesulfonate was estimated to be 12 (Log Koc = 1.079). This Koc value indicates that the substance Methyl methanesulfonate has a negligible sorption tosoil and sediment and therefore have rapid migration potential to ground water.

Additional information

Adsorption / desorption

Experimental study and various predicted data for the target compound Methyl methanesulfonate (CAS No. 66-27-3) and various supporting studies for its structurally similar read across substance were reviewed for the adsorption end point which are summarized as below:

 

In an experimental key study from authoritative database (HSDB andPubChem, 2017),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of test chemical Methyl methanesulfonate (CAS no. 66-27-3). The adsorption coefficient (Koc) value was calculated using astructure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance Methyl methanesulfonate was estimated to be 12 (Log Koc = 1.079).

 

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 Methyl methanesulfonate (CAS No. 66 -27 -3). The soil adsorption coefficient i.e Koc value of Methyl methanesulfonate was estimated to be 4.332 L/kg (log Koc= 0.6367) by means of MCI method (at 25 deg C).

 

In a supporting study from authoritative database (HSDB, 2017) for the read across chemical Methanesulphonyl chloride (CAS no. 124-63-0),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical methanesulphonyl chloride. The adsorption coefficient (Koc) value was calculated using as tructure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance methanesulphonyl chloride was estimated to be 6.1 (Log Koc = 0.785).

 

For the read across chemical Methanesulphonic acid (CAS no. 75-75-2),adsorption study was conducted for estimating the adsorption coefficient (Koc) value of read across chemical methanesulphonic acid (CAS no. 75-75-2). The adsorption coefficient (Koc) value was calculated using astructure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance methanesulphonic acid was estimated to be 1 (Log Koc = 0).

 

On the basis of above overall results for target chemical Methyl methanesulfonate (from authoritative database HSDB,PubChemand EPI suite,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substanceMethyl methanesulfonateranges from4.332–12indicating that the test chemical Methyl methanesulfonate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

 

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