Registration Dossier
Registration Dossier
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EC number: 211-806-9 | CAS number: 697-82-5
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption:
The Soil Adsorption Coefficient i.e Koc value of 2,3,5-trimethylphenol was estimated using EPI suite KOCWIN Program (v2.00) as Koc 805.2 L/kg (log Koc = 2.905) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2,3,5-trimethylphenol has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Additional information
Adsorption / desorption:
Four studies including predicted data from validated model and experimental results for adsorption (KOC) endpoint of test substance 2,3,5-trimethylphenol (CAS no. 697-82-5) with relevant read across which is structurally similar to target were summarized as follows:
First estimation using KOCWIN model (v2.00) of EPI suite indicated the Soil Adsorption Coefficient i.e Koc value of 2,3,5-trimethylphenol as Koc 805.2 L/kg (log Koc = 2.905) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2,3,5-trimethylphenol has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Another prediction model for target i.e Chemspider - ACD/PhysChem Suite suggest the soil adsorption coefficient i.e Koc value of test substance 2,3,5-trimethylphenol was estimated to be 652.28 (log koc-2.814) at pH 5.5 and pH 7.4 and temp.25 deg.C
Above both results are supported by another prediction database Scifinder, which indicated the soil adsorption coefficient i.e Koc value of test substance 2,3,5-trimethylphenol was estimated to be 874 (Log koc-2.941) at pH 1-7; 872 (Log koc-2.940) at pH 8; 850 (Log koc-2.929) at pH 9; and 677 (Log koc-2.830) at pH 10 at temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 2,3,5-trimethylphenol has moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Above predictions for the target substance are further supported by experimental result of read across chemical 2,4,6-trimethylphenol (Cas no. 527-60-6) which suggest the Koc of 2,4,6-trimethylphenol is estimated as 700, using a log Kow of 2.73 and a regression-derived equation. This estimated Koc value suggests that 2,4,6-trimethylphenolis expected to have low mobility in soil.
Thus all above available values for adsorption (log KOC) is in the range of 2.814 to 2.941 (L/kg or dimensionless) which gives the final conclusion as target substance 2,3,5-trimethylphenol (CAS no. 697-82-5) is expected to have low mobility in soil and sediment compartment.
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