W1 AM Nuts and Bolts of Logistics and Data Management for Data-Intensive Programs
Wednesday, 16 November 2005: 8:00 AM - 11:40 AM in Ballroom 1

(BOE-1117-833031) New information from EPI Suite (EPIWIN) for chemical prioritization and assessment.

Boethling, R¹, Howard, P², Meylan, W², ¹ US Environmental Protection Agency, Washington, DC, USA² Syracuse Research Corporation, Syracuse, NY, USA

ABSTRACT- In the last few years several new chemical policy initiatives with global impact have gained prominence. Among these are REACH in the European Union, categorization of the Domestic Substances List (DSL) in Canada; and High Production Volume (HPV) chemical programs in the OECD, including the voluntary HPV Challenge program in the US. In programs such as HPV Challenge, chemical information requirements are spelled out in considerable detail, but for many endpoints data from estimation methods (structure-property or reactivity relationships) are acceptable in lieu of testing. This has led to widespread use of estimation programs for properties such as n-octanol/water partition coefficient (KOW) and multimedia mass distribution, as well as transformation half-lives for atmospheric oxidation and hydrolysis. The US EPA freeware Estimation Programs Interface (EPI) Suite (formerly EPIWIN) now supplies a major proportion of the data that industry sponsors submit for these endpoints. To enhance EPI utility, Syracuse Research Corp. (SRC) and EPA have added a variety of new features that will be described in this presentation. These include a name-lookup function and the ability to estimate biodegradation half-life for sewage treatment plant (STP) modeling (2004 enhancements); and for 2005, calculation of several new properties including subcooled liquid vapor pressure, octanol/air partition coefficient, fraction of chemical sorbed to atmospheric particulates, bioaccumulation in aquatic food webs, and potential for anaerobic biodegradation in sludge digesters. Although not required under Challenge, data for these properties could be used to further inform risk screening in general. The linkage between the properties and the new EPA High Production Volume Information System (HPVIS) is also discussed.

Key words: EPI Suite, HPV chemicals, chemical properties, environmental fate