Registration Dossier
Registration Dossier
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EC number: 807-715-4 | CAS number: 1354569-12-2
Endpoint summary
Administrative data
Description of key information
Additional information
A QSAR modelling (KOCWIN; Klimisch 2) log Koc 4.6 indicates high adsorption tendency.
A modelled Henry's coefficient (Henrywin; Klimisch 2) was 1.3 Pa m3/mol at 25oC and 101.3 kPa indicating very low volatility from water solution.
The estimated environmental persistence of test substance using a more comprehensive QSAR-based EPA PBT profiler v. 2 using seven emission scenarios varied from 0.65 to 25 days, and was 12 days for the standard emission scenario (100 kg/h emitted to air, water and soil). The main environmental fate compartments are soil and water, where the substance will be subject to biodegradation. The estimated bioconcentration factor was 630. The QSAR-based EPISuite v. 4.11 Level III fugacity model calculates distribution only in air (100 %). In this case the estimated half-lives in air would be 5.9 h and in soil, water and sediment practically 0.
The both modelling results are assessed as reliable with restrictions (Klimisch 2), and applied as weight of evidence for PBT assessment.
Conclusion: there is weight of evidence from eight QSAR models that when released to the environment, bis(2 -ethylhexyl)- citraconate is mainly distributing to soil and sediment compartments, where it is biodedegraded in days or weeks. The modelled bioconcentration factor was 630. The test substance has high adsorption tendency to organic carbon (estimated log Koc 4.6), and very low volatity of dissolved substance to the atmosphere (estimated Henry's coefficient 1.3 Pa m3/mol at 25oC and 101.3 kPa).
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