Comparing the European Union System for the Evaluation of Substances (EUSES) environmental exposure calculations with monitoring data for alkyl sulphate surfactants

Background The European surfactant and detergent industry initiated a project to conduct an EUSES-based environmental exposure assessment for the total volume of alkyl sulfate (AS) surfactants, and to verify if the EUSES assessment leads to a realistic prediction of the environmental exposure or to an over- respectively under-estimation of the environmental concentrations of the surfactants. Verification of the EUSES environmental concentration prediction (Clocaleffluent) was carried out by benchmarking them against environmental monitoring data. Recently published data from the United States of America adjusted to the European Union (EU) frame conditions were used for the assessment, as for the EU only historical data from the mid-1990s are available. In addition to the standard (default) EUSES assessment, a higher tier assessment using substance-specific properties, particularly increased biodegradation rates (192 per day instead of the default of 24 per day for WWTP), was conducted. Results A figure of 178,400 tonnes of AS was established as the total maximum volume (2016) handled annually in Europe. This total volume includes the volumes from all EU manufacturers and all registered AS > 100 t/a, as well as the amount of AS contained in EU REACH registered alkyl ether sulfates (AES). The total tonnage was split and assigned to the different uses as reported to ECHA in the C12 AS, Na (151-21-3) registration dossier in 2010. The EUSES calculation was limited to widespread (professional and consumer) uses, covering in total 97,889 t of AS homologues. The EUSES calculation gave a Clocaleffluent of 335 µg/L for the SimpleTreat “readily” biodegradation rate default and a Clocaleffluent of 44.6 µg/L for the AS-specific degradation rates. Recent US monitoring data showed a mean effluent concentration of 4.24 µg alkyl sulfates/L (∑ C12 + C14 + C16 homologues). Taking into account the different annual per capita AS use (including AS from AES) in the US (295 g) and the EU (348 g), the daily per capita water use (EU 200 L, US 408 L), and the WWTP efficiency in the EU and the US (comparable), an US to EU adjustment factor of 2.4 was established. Application of the adjustment factor to the US monitoring data resulted in a calculated EU mean effluent concentration = 10.18 µg alkyl sulfates/L (∑ C12, C14, C16 homologues). This value was used as an independent benchmark for the EUSES calculations. Conclusions Comparing the predicted Clocaleffluent = 335 µg alkyl sulfates/L (SimpleTreat default) and a Clocaleffluent = 44.6 µg Alkyl Sulfates/L (AS-specific degradation rates) with the 10.18 µg alkyl sulfates/L from the adjusted monitoring data it is evident, that the EUSES calculation overestimates the AS environmental exposure by factors of > 32 and > 4, respectively. Taking into consideration, that only widespread uses (covering only 50% of the total AS volume) were included in the EUSES calculation, the overestimation of the default exposure by a factor of 4 is still conservative, despite the fact, that eightfold higher, substance-specific biodegradation rates were used. In conclusion, using the 2010 C12-AS REACH dossier (CAS-No. 151-21-3) as an example, it has been shown, that EUSES model exposure calculations using default biodegradation rates significantly overestimate effluent concentrations.

Comparing the European Union System for the Evaluation of Substances (EUSES) environmental exposure calculations with monitoring data for alkyl sulphate surfactants

BackgroundThe European surfactant and detergent industry initiated a project to conduct an EUSES-based environmental exposure assessment for the total volume of alkyl sulfate ( AS) surfactants, and to verify if the EUSES assessment leads to a realistic prediction of the environmental exposure or to an over- respectively under-estimation of the environmental concentrations of the surfactants. Verification of the EUSES environmental concentration prediction (Clocaleffluent) was carried out by benchmarking them against environmental monitoring data. Recently published data from the United States of America adjusted to the European Union (EU) frame conditions were used for the assessment, as for the EU only historical data from the mid 1990’s are available. In addition to the standard (default) EUSES assessment, a higher tier assessment using substance-specific properties, particularly increased biodegradation rates (192 per day instead of the default of 24 per day for WWTP), was conducted.ResultsA figure of 178,400 tonnes of AS was established as the total maximum volume (2016) handled annually in Europe. This total volume includes the volumes from all EU manufacturers and all registered AS > 100 t/a, as well as the amount of AS contained in EU REACH registered Alkyl Ether Sulfates (AES). The total tonnage was split and assigned to the different uses as reported to ECHA in the C12 AS, Na (151-21-3) registration dossier in 2010. The EUSES calculation was limited to widespread (professional and consumer) uses, covering in total 97,889 t of AS homologues. The EUSES calculation gave a Clocaleffluent of 335 µg/L for the SimpleTreat “readily” biodegradation rate default and a Clocaleffluent of 44.6 µg/L for the AS specific degradation rates. Recent U.S. monitoring data showed a mean effluent concentration of 4.24 µg Alkyl Sulfates/L (∑ C12 + C14 + C16 homologues). Taking into account the different annual per capita AS use (including AS from AES) in the U.S. (295 g) and the EU (348 g), the daily per capita water use (EU 200 L, U.S. 408 L), and the WWTP efficiency in the EU and the U.S. (comparable), an U.S. to EU adjustment factor of 2.4 was established. Application of the adjustment factor to the U.S. monitoring data resulted in a calculated EU mean effluent concentration = 10.18 µg Alkyl Sulfates/L (∑ C12, C14, C16 homologues). This value was used as an independent benchmark for the EUSES calculations. ConclusionsComparing the predicted Clocaleffluent = 335 µg Alkyl Sulfates/L (SimpleTreat default) and a Clocaleffluent = 44.6 µg Alkyl Sulfates/L (AS-specific degradation rates) with the 10.18 µg Alkyl Sulfates/L from the adjusted monitoring data it is evident, that the EUSES calculation overestimates the AS environmental exposure by factors of > 32 and > 4, respectively. Taking into consideration, that only widespread uses (covering only 50 % of the total AS volume) were included in the EUSES calculation, the overestimation of the default exposure by a factor of 4 is still conservative, despite the fact, that 8-fold higher, substance-specific biodegradation rates were used. In conclusion, using the 2010 C12-AS REACH dossier (CAS-No. 151-21-3) as an example, it has been shown, that EUSES model exposure calculations using default biodegradation rates significantly overestimate effluent concentrations.

The Effects of Ethanol Concentration and of Ionic Strength on the Zeta Potential of Titania in the Presence of Sodium Octadecyl Sulfate

Sodium octadecyl sulfate (C18H37SO4Na) induces a negative zeta potential of metal oxides at very low surfactant concentrations as compared with shorter-chained sodium alkyl sulfates. The problem of low solubility of sodium octadecyl sulfate in water was solved by the addition of the surfactant to dispersions as ethanolic stock solution, but then the presence of ethanol in dispersions was inevitable. We demonstrate that the concentration of ethanol (up to 5% by mass) in a dispersion containing titania (TiO2) and sodium octadecyl sulfate has an insignificant effect on the zeta potential of particles. We further demonstrate that the shifts in the IEP of titania induced by the presence of sodium octadecyl sulfate are independent of the NaCl concentration. The results obtained in this study can be generalized for 1-1 salts other than NaCl, for metal oxides other than titania, for organic co-solvents other than ethanol, and for sparingly soluble ionic surfactants other than sodium octadecyl sulfate.

Comparing the European Union System for the Evaluation of Substances (EUSES) environmental exposure calculations with monitoring data for alkyl sulphate surfactants

BackgroundThe European surfactant and detergent industry initiated a project to conduct an EUSES-based environmental exposure assessment for the total volume of alkyl sulfate ( AS) surfactants, and to verify if the EUSES assessment leads to a realistic prediction of the environmental exposure or to an over- respectively under-estimation of the environmental concentrations of the surfactants. Verification of the EUSES environmental concentration prediction (Clocaleffluent) was carried out by benchmarking them against environmental monitoring data. Recently published data from the United States of America adjusted to the European Union (EU) frame conditions were used for the assessment, as for the EU only historical data from the mid 1990’s are available. In addition to the standard (default) EUSES assessment, a higher tier assessment using substance-specific properties, particularly increased biodegradation rates (192 per day instead of the default of 24 per day for STP), was conducted.ResultsA figure of 178,400 tonnes of AS was established as the total maximum volume (2016) handled annually in Europe. This total volume includes the volumes from all EU manufacturers and all registered AS > 100 t/a, as well as the amount of AS contained in EU REACH registered Alkyl Ether Sulfates (AES). The total tonnage was split and assigned to the different uses as reported to ECHA in the C12 AS, Na (151-21-3) registration dossier in 2010. The EUSES calculation was limited to widespread (professional and consumer) uses, covering in total 97,889 t of AS homologues. The EUSES calculation gave a Clocaleffluent of 335 µg/L for the SimpleTreat “readily” biodegradation rate default and a Clocaleffluent of 44.6 µg/L for the AS specific degradation rates.Recent U.S. monitoring data showed a mean effluent concentration of 4.24 µg Alkyl Sulfates/L (∑ C12 + C14 + C16 homologues). Taking into account the different annual per capita AS use (including AS from AES) in the U.S. (295 g) and the EU (348 g), the daily per capita water use (EU 200 L, U.S. 408 L), and the WWTP efficiency in the EU and the U.S. (comparable), an U.S. to EU adjustment factor of 2.4 was established. Application of the adjustment factor to the U.S. monitoring data resulted in a calculated EU mean effluent concentration = 10.18 µg Alkyl Sulfates/L (∑ C12, C14, C16 homologues). This value was used as an independent benchmark for the EUSES calculations.ConclusionsComparing the predicted Clocaleffluent = 335 µg Alkyl Sulfates/L (SimpleTreat default) and a Clocaleffluent = 44.6 µg Alkyl Sulfates/L (AS-specific degradation rates) with the 10.18 µg Alkyl Sulfates/L from the adjusted monitoring data it is evident, that the EUSES calculation overestimates the AS environmental exposure by factors of > 32 and > 4, respectively. Taking into consideration, that only widespread uses (covering only 50 % of the total AS volume) were included in the EUSES calculation, the overestimation of the default exposure by a factor of 4 is still conservative, despite the fact, that 8-fold higher, substance-specific biodegradation rates were used. In conclusion, using the 2010 C12-AS REACH dossier (CAS-No. 151-21-3) as an example, it has been shown, that EUSES model exposure calculations using default biodegradation rates significantly overestimate effluent concentrations.

Bioactive Aliphatic Sulfates from Marine Invertebrates

The occurrence of sulfated steroids and phenolics in marine organisms is quite widespread, being typically reported from Echinoderms. In contrast, alkane and alkene aliphatic sulfates are considerably rarer with examples being reported from a diverse array of organisms including echinoderms, sponges and ascidians. While no ecological roles for these metabolites have been proposed, they do exhibit a diverse array of biological activities including thrombin inhibition; the ability to induce metamorphosis in larvae; antiproliferative, antibacterial and antifungal properties; and metalloproteinase inhibition. Of particular interest and an avenue for future development is the finding of antifouling properties with low or nontoxic effects to the environment. This review focuses on alkyl sulfates and related sulfamates, their structures and biological activities. Spectroscopic and spectrometric techniques that can be used to recognize the presence of sulfate groups are also discussed, data for which will enhance the ability of researchers to recognize this class of chemically- and biologically-interesting marine natural products.