Surface water concentrations of the fragrance compound OTNE in Germany--a comparison between data from measurements and models

Emissions of the fragrance compound OTNE (Iso-E-Super) to surface waters have been investigated by means of a combined analytical (measurements) and modeling approach. The compound is an ingredient in many household products and is emitted into surface waters almost exclusively via the wastewater pathway. Measured concentrations of OTNE in surface waters of the Ruhr river catchment basin ranged from 30 to 100 ng L(-1), and were thus in the same order of magnitude as the polycyclic musks AHTN and HHCB. The geo-referenced exposure model GREAT-ER (Geo-referenced Regional Exposure Assessment Tool for European Rivers) was used to simulate OTNE concentrations in the Ruhr river basin. Model results could plausibly explain monitoring data at all sampling sites when considering the discharge conditions during the sampling period and specific local characteristics. According to the model, approximately half of the total OTNE emissions into the Ruhr river basin are transferred from surface water into the atmosphere and the sediment. Volatilization from lakes was identified as the major removal process of the fragrance compound OTNE. To identify possible regional differences, samples from the Danube in Hungary were also analysed. The OTNE concentrations were in the same order of magnitude (29-810 ng L(-1)) as in the Ruhr catchment, but exhibited higher spatial variability.