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EC number: 279-935-3 | CAS number: 82338-76-9
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical bis[[4 -[[4 -(diethylamino)phenyl][4 -(ethylamino)-1 -naphthyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (CAS No. 82338 -76 -9). The soil adsorption coefficient i.e Koc value of bis[[4 -[[4 -(diethylamino)phenyl][4 -(ethylamino)-1 -naphthyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]diethylammonium] dicopper(1 +) hexa(cyano-C)ferrate(4 -) was estimated to be 433000000 L/kg (log Koc= 8.636) by means of MCI method (at 25 deg C). This Koc value indicates that the substance bis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
Additional information
Adsorption / desorption
Predicted data for the target compound bis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (CAS No. 82338-76-9) and supporting study for its read across substance were reviewed for the adsorption end point which are summarized as below:
In a key study,theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical bis[[4 -[[4 -(diethylamino)phenyl][4 -(ethylamino)-1 -naphthyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (CAS No. 82338 -76 -9).
The soil adsorption coefficient i.e Koc value of bis[[4 -[[4 -(diethylamino)phenyl][4 -(ethylamino)-1 -naphthyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]diethylammonium] dicopper(1 +) hexa(cyano-C)ferrate(4 -) was estimated to be 433000000 L/kg (log Koc= 8.636) by means of MCI method (at 25 deg C). This Koc value indicates that the substance bis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
In a supporting study from authoritative database (HSDB, 2017) for the read across chemical (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride (CAS no. 548 -62 -9),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of substance (4 -(4,4'-Bis(dimethylamino)benzhydryli dene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride was estimated to be 610000 (Log Koc = 5.785).
On the basis of above overall results for target chemical bis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (fromCompTox Chemistry Dashboard,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substance bis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) was estimated to be
433000000 L/kg (log Koc= 8.636), indicating that the test chemical bis[[4 -[[4 -(diethylamino)phenyl][4 -(ethylamino)-1 -naphthyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]diethylammonium] dicopper(1 +) hexa(cyano-C)ferrate(4 -)has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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