Registration Dossier
Registration Dossier
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EC number: 219-062-7 | CAS number: 2345-26-8
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
The Soil Adsorption Coefficient i.e Koc value of 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was estimated using EPI suite KOCWIN (v2.00) program as Koc 1501 L/kg(log Koc=3.17) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate 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 models and experimental studies for adsorption (KOC) endpoint of target chemical 3,7-dimethylocta-2,6-dien-1-yl acetate (Cas no. 2345-26-8) with relevant read across which is structurally similar to target were summarized as follows:
First prediction by KOCWIN model (v2.00) of EPI suite indicate the adsorption value of 3,7-dimethylocta-2,6-dien-1-yl acetate was estimated as 1501 L/kg(log Koc=3.17) by means of MCI method at 25 deg.C. This Koc value indicates that the substance3,7-dimethylocta-2,6-dien-1-yl acetate has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Above results is supported by Scifinder database which suggest the soil adsorption coefficient i.e Koc value of test substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was estimated to be 9330 (Log koc-3.96) at pH 10 at temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate has strong sorption to soil and sediment and therefore have negligible to slow migration potential to groundwater.
Further, Chemspider - ACD/PhysChem Suite indicate the soil adsorption coefficient i.e Koc value of test substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate was estimated to be 6485.42 (log koc: 3.81) at pH 5.5 and pH 7.4 and temp.25 deg.C this Koc value at different pH indicates that the substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate has Strong sorption to soil and sediment and therefore have negligible to slow migration potential to groundwater.
Above all predicted results are further supported by results for read across substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (CAS: 105 -87 -3) from authorative database (HSDB by US EPA; 2017) which indicate the Koc to be 3700, using a log Kow of 4.04 and a regression-derived equation.This estimated Koc value suggests that 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate is expected to have slight mobility in soil.
Thus all available studies for adsorption endpoint come to conclusion that the test substance 3,7-dimethylocta-2,6-dien-1-yl acetate (Cas no. 2345-26-8)is expected to have low to slight mobility in soil and sediment compartment.
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