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EC number: 235-424-7 | CAS number: 12224-98-5
Endpoint summary
Administrative data
Description of key information
Hydrolysis:
The half life of hydrolysis of test chemical Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS no. 12224 -98 -5) was estimated by using OECD QSAR tool box v3.3 and by using five closest read across chemicals with log kow as primary descriptor. The half life of hydrolysis of test chemical Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate was estimated to be 102.107 days. Based on the value of half life of hydrolysis it is concluded that this test chemical is not hydrolysable.
Additional information
Hydrolysis:
Two predicted data study for target chemical Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS no. 12224 -98 -5) and one experimental study for its closest read across chemical with log Kow as primary descriptor have been conducted and their results are summarized below for hydrolysis endpoint.
In first weight of evidence study the half life of hydrolysis of test chemical Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS no. 12224 -98 -5) was estimated by using OECD QSAR tool box v3.3 and by using five closest read across chemicals with log kow as primary descriptor. The half life of hydrolysis of test chemical Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate was estimated to be 102.107 days.
In another weight of evidence study the hydrolysis half life at different pH and rate constant of test chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS No. 12224-98-5) was estimated by Estimation Program Interface[EPI Suite, 2017 (HydroWin)]. The Half life estimated at pH 7 was 5.817 years and at pH 8 was 212.462 days at temperature 25 oC. The rate Constant at pH > 8 was 0.0377 L/Mol/Sec at 25 oC.
The last weight of evidence study was done from authoritative database (HSDB, 2017) for read across chemical (2-ethoxy-1-methyl-2-oxoethyl)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate (CAS no.77501-63-4) in this study the hydrolysis rate constant of read across chemical (2-ethoxy-1-methyl-2-oxoethyl)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate obtained was 0.21 L/mol/sec by base catalysed second order reaction and structure estimation method. The half life of hydrolysis obtained at pH 7 was 1 years and at pH 8 was 37days.
On the basis of results of all the studies mentioned above for target chemical and its read across chemical it can be concluded that target chemical Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS No. 12224-98-5) is not hydrolysable.
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