Registration Dossier
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EC number: 254-529-9 | CAS number: 39577-43-0
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
The Soil Adsorption Coefficient i.e Koc value of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated using EPI suite KOCWIN (v2.00) program as 2169 L/kg (log Koc=3.33) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Additional information
Adsorption / desorption
Four results including different predicted data from validated models for adsorption (KOC) endpoint of target chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (Cas no. 39577-43-0) were summarized as follows:
First study from prediction by KOCWIN model (v2.00) of EPI suite which indicate the adsorption value of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated as 2169 L/kg (log Koc=3.33) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Above result is supported by ACD (Advanced Chemistry Development)/I-Lab; Algorithm Version: v5.0.0.184 using Adsorption Coefficient module (v12.1.0.50374) module; 2017 which indicate the Koc value of test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1 to 2592 (max.value log Koc=3.4) at pH range 1-14. This Koc value indicates that the test substance has moderate sorption to soil and sediment and slow migration potential to groundwater.
Result from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) indicate the adsorption coefficient i.e KOC for test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 830 L/Kg. The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine has low mobility in soil compartment.
Scifinder database suggest the soil adsorption coefficient i.e Koc value of test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 1-1080 (max. value Log koc-3.03) at pH range 1-10 at temperature 25 deg.C.This Koc value at all range of pH condition indicates that the substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine has moderate sorption to soil and sediment,slow migration potential to groundwater.
Thus all available studies for adsorption endpoint come to conclusion that the test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (Cas no. 39577-43-0) is expected to have low mobility in soil and sediment compartment.
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