Registration Dossier
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EC number: 288-538-4 | CAS number: 85750-13-6
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline (CAS No. 85750-13-6) was estimated using EPI suite KOCWIN Program (v2.00) as 30500 L/kg (log Koc= 4.484) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.
Additional information
Adsorption/desorption:
Various predicted data studies for target chemical and experimental studies for its structurally similar read across chemical have been reviewed for adsorption endpoint and their results are summarized below.
In first predicted data study the Soil Adsorption Coefficient i.e. Koc value of test chemical 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline (CAS No. 85750-13-6) was estimated using EPI suite KOCWIN Program (v2.00) as 30500 L/kg (log Koc= 4.484) by means of MCI method at 25 deg. C.
In another study the Soil Adsorption Coefficient i.e Koc value of test substance 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline (CAS no.85750 -13 -6) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of Advanced Chemistry Development/I-lab predictive module as Koc 349102 dimensionless (log Koc= 5.5429) at pH 7.
Next predicted data study was done by using Sci Finder database the soil adsorption co-efficient i.e., Koc value of test chemical 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline was estimated to be 322000 dimensionless (log Koc = 5.5078) at pH range 6-10 at temperature 25 deg.c.
Another predicted data study was done by using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline (CAS no. 85750 -13 -6) was estimated to be 78069.40 dimensionless (log Koc= 4.8924) at pH 5.5 and 78153.20 dimensionless (Log Koc= 4.8929) at pH 7.4 and temperature 25 deg.C
Next study was experimental study reviewed from authoritative database (HSDB) in this study the Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance was estimated to be 230000 (Log Koc = 5.361).
Last study was also experimental study done from authoritative database (HSDB) in this study Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical . The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance was estimated to be 130000 (Log Koc = 5.113).
By considering results of all the studies mentioned above it can be concluded that log Koc value of test chemical is in range of 4.484 - 5.5429. This range log Koc value indicates that that the chemical 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline has very strong sorption to soil and sediments and therefore test chemical has negligible migration potential to ground water.
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