Registration Dossier
Registration Dossier
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EC number: 205-393-4 | CAS number: 140-04-5
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption:
The Soil Adsorption Coefficient i.e Koc value of butyl 12-acetoxyoctadec-9-enoate was estimated using KOCWIN model (v2.00) of EPI suite as Koc 124000 L/kg (log Koc = 5.093) by means of MCI method at 25 deg.C. This Koc value indicates that the substance butyl 12-acetoxyoctadec-9-enoate has a very strong sorption to soil and sediment and therefore have Negligible 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 substancebutyl 12-acetoxyoctadec-9-enoate(CAS no.140-04-5) 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 butyl 12-acetoxyoctadec-9-enoate as Koc 124000 L/kg (log Koc = 5.093) by means of MCI method at 25 deg.C. This Koc value indicates that the substance butyl 12-acetoxyoctadec-9-enoate has a very strong sorption to soil and sediment and therefore have negligible 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 butyl 12-acetoxyoctadec-9-enoate was estimated to be 584429.63(log koc-5.766) 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 butyl 12-acetoxyoctadec-9-enoate was estimated to be 925000 (Log koc-5.966) at pH 1-10 and temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance butyl 12-acetoxyoctadec-9-enoate has very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Above predictions for the tarhet substance are further supported by experimental result of read across chemical Bis(2-ethylhexyl)ester hexanedioic acid (Cas no.102-23-1) which suggest that the environmental mobility of Bis (2-ethylhexyl) adipate (DOA) was determine using the equation: logKOC = -0.27 - 0.782(log molar water solubility).
During experiment, the soil/water partition coefficient (KOC) for Bis (2-ethylhexyl) adipate (DOA) was observed to be 15000 (log koc=4.176) which indicates that the chemical is immobile in soil compartment. (Environmental Toxicology and Chemistry Vol. 5. pp. 777-784. 1986).
Thus all above available values for adsorption (log KOC) is in the range of 4.176 to 5.966 (L/kg or dimensionless) which gives the final conclusion as target substancebutyl 12-acetoxyoctadec-9-enoate(Cas no.140-04-5) is expected to immobile in soil and sediment compartment.
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