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EC number: 279-935-3 | CAS number: 82338-76-9
Endpoint summary
Administrative data
Description of key information
Hydrolysis
Hydrolysis ofbis[[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) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. The estimated half-life 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 73.5 days, indicating that it is not hydrolysable.
Additional information
Hydrolysis
Predicted data for the 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-) (CAS No. 82338-76-9) and supporting study from authoritative database for its read across substance were reviewed for the hydrolysis end point which are summarized as below:
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, the hydrolysis 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 -) (CAS No. 82338-76-9) was predicted. The estimated half-life 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 73.5 days, indicating that it is not hydrolysable.
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),the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the read across chemical (4 -(4,4'-Bis(dimethylamino) benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride. The second order hydrolysis rate constant of (4 -(4,4'-Bis(dimethylamino) benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, chloride was determined to be 3.707L/mol-sec with a corresponding half-lives of 22 and 2 days at pH 7 and 8, respectively. Based on the half-life values (22 days at pH 7.0), it is concluded that the chemical (4 -(4,4'-Bis(dimethyl amino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride is not hydrolysable.
On the basis of the above 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-)(from OECD QSAR toolbox version 3.3 andEPI Suite, 2017) and for its read across substance (fromauthoritative databaseHSDB, 2017), it can be concluded that the test chemicalbis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-)is not hydrolysable.
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