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EC number: 206-137-4 | CAS number: 303-26-4
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
The Soil Adsorption Coefficient i.e Koc value of test substance1-[(4-chlorophenyl)(phenyl)methyl]piperazine was estimated using Adsorption Coefficient module (v12.1.0.50374) program at pH 6 as Koc 3.40 dimensionless (log Koc= 0.5) at pH 7 Koc 21.0 dimensionless (log Koc=1.3) and at pH 8 Koc 180 dimensionless (log Koc=2.3).These log Koc values indicate that the test substance1-[(4-chlorophenyl)(phenyl)methyl]piperazinehas a negligible to low sorption to soil and therefore have rapid to moderate migration potential to groundwater.
Additional information
Adsorption/desorption:
Various predicted data for the target compound of 1-[(4-chlorophenyl)(phenyl)methyl]piperazine and supporting weight of evidence study for its read across chemical were reviewed for the Adsorption end point are summarized as below.
In a prediction done using Bio-concentration Factor (v12.1.0.50374) (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) modulethe Soil Adsorption Coefficient i.e Koc value of test substance 1-[(4-chlorophenyl)(phenyl)methyl]piperazine was estimated using Adsorption Coefficient module (v12.1.0.50374) program at pH 6 as Koc 3.40 dimensionless (log Koc= 0.5) at pH 7 Koc 21.0 dimensionless (log Koc=1.3) and at pH 8 Koc 180 dimensionless (log Koc=2.3). These log Koc values indicate that the test substance 1-[(4-chlorophenyl)(phenyl)methyl]piperazine has a negligible to low sorption to soil and therefore have rapid to moderate migration potential to groundwater.
Another predicted data was estimated using Sci Finder database (American Chemical Society (ACS), 2017) in this studythe soil adsorption co-efficient i.e., Koc value of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine at pH 1-4 was estimated to be1 dimensionless ( log Koc = 0) at temperature 25 deg.c.and at pH 5-10 Koc values was estimated to be 1.06, 1.62, 7.18, 60.2, 417,1040 dimensionless (log koc=0.0253,0.2095,0.8561,1.7795,2.6201, and 3.0170) respectively. By considering koc value at pH 7 which is 7.18 (log Koc=0.8561) it is concluded that this test chemical has negligible sorption to soil and threrfore have rapid migration potential to ground water at pH 7.
Next weight of evidence study was done by Using Chemspider-ACD/Phy chem suite of Royal society of Chemistry (RCS, 2017) in this study the soil adsorption co-efficient i.e., Koc value of test substance 1-[(4-chlorophenyl)(phenyl)methyl]piperazine was estimated to be 3.29 dimensionless (log Koc= 0.5550) at pH 5.5 and at 7.4 Koc value was estimated to be 87.78 (log Koc=1.9433) and temperature 25 deg.C These Koc values at different pH indicate that the chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine has negligible to low sorption to soil and sediments and therefore test chemical has rapid to moderate migration potential to ground water.
Next weight of evidence study was done from HSDB authoritative database (2017) in this study the adsorption coefficient (Koc) of red across substance Piperazine was determined to be 3.6 (log Koc= 0.5563) using a log Kow of 1.50 and a regression derived equation. This Koc value suggests that piperazine is expected to have very high mobility in soil.
Another weight of evidence study was done fromEuropean Union Risk Assessment Report 2005 fror read cross chemical piperazine in this report adsorption study was performed with three different soils (loam, sand and sandy loam) using the batch equilibrium method (OECD Guidelines 106) (Geurts, 2003). The optimal soil solution ratio of 1:5 was used for the final sorption test. Equilibrium was reached after approximately 8 hours. During experiment the Kd values was determined to be 7.9-20 these results indicate that sorption of piperazine to soil is not correlated to the organic carbon content of the soils. Thus study finally concluded that the test chemical does not meant to be to adsorb to or partition into solids to any significant extent, but remained in the water phase.
Last weight of evidence study was also done from authoritative database (HSDB, 2017) for read cross chemical 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid(CAS no.83881-51-0) the Koc value for chemical 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid was determined by a log Kow of 1.70 and a regression-derived equation. The estimated Koc value was 200 dimensionless and log Koc is 2.3010 this log Koc value suggests that 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acidis expected to have low sorption to soil and sediment and therefore has moderate migration potential to ground water.
On the basis of above results for target chemical1-[(4-chlorophenyl)(phenyl)methyl]piperazine(from ACD labs, Sci Finder database, and Chemspider 2017) and for its read across chemicals (From authoritative database HSDB and European Union Risk Assessment Report) it can be concluded that the log Koc value of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine ranges from0.8561to1.9433indicating that the chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine has negligible to low sorption to soil and sediment and therefore it has rapid to moderate migration potential to ground water
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