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Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Adsorption / desorption

From authorative database HSDB,the Koc of 2,3dimethylphenol can be estimated to be 630,using a structure estimation method based on molecular connectivity indices.This estimated Koc value suggests that 2,3dimethylphenol is expected to have low mobility in soil.

Additional information

Adsorption / desorption

Four studies including experimental studies and predicted data from validated models for adsorption (KOC) endpoint of target chemical 2,3-dimethylphenol (Cas no. 526-75-0) were summarized as follows:

 

First study from authorative database (HSDB by US EPA; 2017) indicate the Koc of 2,3-dimethylphenol as 630,using a structure estimation method based on molecular connectivity indices. This estimated Koc value suggests that 2,3dimethylphenol is expected to have low mobility in soil.

Above results is also supported by prediction by KOCWIN model (v2.00) of EPI suite which indicate the adsorption value of 2,3-dimethylphenol was estimated as 501.9 L/kg(log Koc=2.70) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2,3-dimethylphenol has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.

 

And data from Scifinder database suggest the soil adsorption coefficient i.e Koc value of test substance 2,3-dimethylphenol to be 470 (Log koc-2.67) at pH range 1-7, 468 (Log koc-2.67) at pH 8,453 (Log koc-2.65) at pH 9 and 341 (Log koc-2.53) at pH 10 at temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 2,3-dimethylphenol has Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.

 

Further, Chemspider - ACD/PhysChem Suite indicate the soil adsorption coefficient i.e Koc value of test substance 2,3-dimethylphenol was estimated to be 457.53 (log koc: 2.66) at pH 5.5 and pH 7.4 and  temp.25 deg.C this Koc value at different pH indicates that the substance 2,3-dimethylphenol has Moderate sorption to soil and sediment and therefore have slow to moderate migration potential to groundwater. 

Thus all available studies for adsorption endpoint concluded that the test substance 2,3-dimethylphenol (Cas no. 526-75-0) is expected to have low mobility in soil and sediment compartment.