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ETBE

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Technical Report
Technical Report

PK/PBPK model evaluation for the IRIS assessments of ethyl tertiary butyl ether (CASRN 637-92-3) and tert-butyl alcohol (CAS No. 75-65-0) (Draft)

Author: U.S. EPA (2017) Washington, DC: U.S. Environmental Protection Agency, Pharmacokinetics Working Group. [EPA Report] HERO ID: 3453618


The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Effects of ethanol, ethyl-tert-butyl ether and dimethyl-carbonate blends with gasoline on SI engine

Authors: Schifter, I; Gonzalez, U; Gonzalez-Macias, C (2016) Fuel 183:253-261. HERO ID: 3441772

[Less] The oxygenates ethanol (EtOH), ethyl-tert-butyl ether (ETBE), and dimethyl carbonate (DMC) were blended . . . [More] The oxygenates ethanol (EtOH), ethyl-tert-butyl ether (ETBE), and dimethyl carbonate (DMC) were blended in a gasoline blendstock at levels of 2.8 wt% oxygen. Chemical and physical properties of the blends were compared to the requirements of ozone non-attainment areas in Mexico, particularly the percent of oxygen and the octane number but with reduced Reid vapor pressure with respect to the commercial regular gasoline sold in the area. Ethanol seems to be the additive that provides the highest fuel sensitivity (RON-MON) followed by the DMC blend. The blends were tested on a single cylinder spark ignition engine. Experiments were conducted for equivalence air-fuel ratio, fuel consumption, volumetric efficiency, brake thermal efficiency, brake power, engine torque and brake specific fuel consumption, while exhaust emissions were analyzed for carbon monoxide (CO), carbon dioxide (CO2) and nitrogen oxides (NOx). For all studied engine operation conditions (stoichiometric, rich and lean), baseline fuel presents the maximum cyclic dispersion; therefore, adding oxygenates makes more homogeneous cycle-by-cycle operation. The presence of DMC compensates for the reductions in combustion speed as the air fuel ratio becomes lean. Ethanol has similar effect; however, ETBE does not present this behavior. Additionally, EtOH and DMC burned 5-10% faster than ETBE and baseline gasoline under lean conditions. (C) 2016 Elsevier Ltd. All rights reserved.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Physiologically based pharmacokinetic model for ethyl tertiary-butyl ether and tertiary-butyl alcohol in rats: Contribution of binding to α2u-globulin in male rats and high-exposure nonlinear kinetics to toxicity and cancer outcomes

Authors: Borghoff, SJ; Ring, C; Banton, MI; Leavens, TL (2016) HERO ID: 3449552

[Less] In cancer bioassays, inhalation, but not drinking water exposure to ethyl tertiary-butyl ether (ETBE), . . . [More] In cancer bioassays, inhalation, but not drinking water exposure to ethyl tertiary-butyl ether (ETBE), caused liver tumors in male rats, while tertiary-butyl alcohol (TBA), an ETBE metabolite, caused kidney tumors in male rats following exposure via drinking water. To understand the contribution of ETBE and TBA kinetics under varying exposure scenarios to these tumor responses, a physiologically based pharmacokinetic model was developed based on a previously published model for methyl tertiary-butyl ether, a structurally similar chemical, and verified against the literature and study report data. The model included ETBE and TBA binding to the male rat-specific protein α2u-globulin, which plays a role in the ETBE and TBA kidney response observed in male rats. Metabolism of ETBE and TBA was described as a single, saturable pathway in the liver. The model predicted similar kidney AUC0-∞ for TBA for various exposure scenarios from ETBE and TBA cancer bioassays, supporting a male-rat-specific mode of action for TBA-induced kidney tumors. The model also predicted nonlinear kinetics at ETBE inhalation exposure concentrations above ~2000 ppm, based on blood AUC0-∞ for ETBE and TBA. The shift from linear to nonlinear kinetics at exposure concentrations below the concentration associated with liver tumors in rats (5000 ppm) suggests the mode of action for liver tumors operates under nonlinear kinetics following chronic exposure and is not relevant for assessing human risk. Copyright © 2016 The Authors Journal of Applied Toxicology Published by John Wiley & Sons Ltd.

Data/Software
Data/ Software

Model files for tert-butanol and ETBE

Author: U.S. EPA (2016) HERO ID: 3230265


Archival Material
Archival Material

ChemID plus advanced. Ethyl tert-butyl ether, CASRN: 637-92-3

Author: NLM (2016) Available online at https://chem.nlm.nih.gov/chemidplus/rn/637-92-3. [Website] HERO ID: 3479599


The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Physical properties of gasoline, isobutanol and ETBE binary blends in comparison with gasoline ethanol blends

Authors: Rodríguez-Antón, LM; Gutíerrez-Martín, F; Doce, Y (2016) HERO ID: 3486715


The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Relevant properties for catalytic activity of sulfonic ion-exchange resins in etherification of isobutene with linear primary alcohols

Authors: Hug Badia, J; Fite, C; Bringue, R; Ramirez, E; Iborra, M (2016) HERO ID: 3486701

[Less] The catalyzed liquid-phase reaction of isobutene with a homologous series of linear alcohols, from methanol . . . [More] The catalyzed liquid-phase reaction of isobutene with a homologous series of linear alcohols, from methanol to 1-butanol, has been studied at 333 K and 1.5 MPa. Sixteen sulfonic ion-exchange resins, to cover a wide range of properties, have been assayed. A response surface methodology analysis allowed to identify the most relevant catalyst properties, and the change of their relative importance along the homologous series of alcohols. Globally, reaction rates increase with the alcohol length. Resins with a high acid capacity and low specific volume of swollen polymer are the most active ones for the studied etherification reactions. (C) 2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Characterization and fingerprinting of soil and groundwater contamination sources around a fuel distribution station in Galicia (NW Spain)

Authors: Balseiro-Romero, M; Macías, F; Monterroso, C (2016) HERO ID: 3486707

[Less] Soil and groundwater contamination around a fuel distribution station in Tomiño (NW Spain) was evaluated. . . . [More] Soil and groundwater contamination around a fuel distribution station in Tomiño (NW Spain) was evaluated. For this purpose, top and subsoil (up to 6.4 m) and groundwater were sampled around the station, approximately in a 60-m radius. Samples were analysed by HS-SPME-GC-MS to identify and quantify volatile fuel organic compounds (VFOC) (MTBE, ETBE and BTEX) and diesel range organics (DRO). Analysis and fingerprinting data suggested that the contamination of soil and groundwater was provoked by a fuel leak from underground storage tanks. This was reflected by hydrocarbon indices and principal component analysis, which discriminated a direct source of contamination of the subsoil samples around the station. The contaminants probably migrated from tank nearby soils to surrounding soils and leached to groundwater, following a SW direction. Irrigation with contaminated groundwater provoked a severe contamination of topsoils, which were enriched with the lightest components of gasoline and diesel. Fingerprinting also revealed the continuity of the leak, reflected by the presence of volatiles in some samples, which principally appeared in fresh leaks. MTBE was detected in a very high concentration in groundwater samples (up to 690 μg L(-1)), but it was not detected in fresh gasoline. This also evidenced an old source of contamination, probably starting in the mid-1990s, when the use of MTBE in gasoline was regulated.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Forensic analysis of tertiary-butyl alcohol (TBA) detections in a hydrocarbon-rich groundwater basin

Authors: Quast, KW; Levine, AD; Kester, JE; Fordham, CL (2016) Environmental Monitoring and Assessment 188:208. HERO ID: 3486710

[Less] Tertiary-butyl alcohol (TBA), a high-production volume (HPV) chemical, was sporadically detected in . . . [More] Tertiary-butyl alcohol (TBA), a high-production volume (HPV) chemical, was sporadically detected in groundwater and coalbed methane (CBM) wells in southeastern Colorado's hydrocarbon-rich Raton Basin. TBA concentrations in shallow water wells averaged 75.1 μg/L, while detections in deeper CBM wells averaged 14.4 μg/L. The detection of TBA prompted a forensic investigation to try to identify potential sources. Historic and recent data were reviewed to determine if there was a discernable pattern of TBA occurrence. Supplemental samples from domestic water wells, monitor wells, CBM wells, surface waters, and hydraulic fracturing (HF) fluids were analyzed for TBA in conjunction with methyl tertiary-butyl ether (MTBE) and ethyl tertiary-butyl ether (ETBE), proxies for evidence of contamination from reformulated gasoline or associated oxygenates. Exploratory microbiological sampling was conducted to determine if methanotrophic organisms co-occurred with TBA in individual wells. Meaningful comparisons of historic TBA data were limited due to widely varying reporting limits. Mapping of TBA occurrence did not reveal any spatial patterns or physical associations with CBM operations or contamination plumes. Additionally, TBA was not detected in HF fluids or surface water samples. Given the widespread use of TBA in industrial and consumer products, including water well completion materials, it is likely that multiple diffuse sources exist. Exploratory data on stable isotopes, dissolved gases, and microbial profiling provide preliminary evidence that methanotrophic activity may be producing TBA from naturally occurring isobutane. Reported TBA concentrations were significantly below a conservative risk-based drinking water screening level of 8000 μg/L derived from animal toxicity data.

The "refereed" or "peer review" status of a journal comes from the Ulrichsweb Global Serials Directory (http://ulrichsweb.serialssolutions.com/), as supplied by the publisher. The term refers to the system of critical evaluation of manuscripts/articles by professional colleagues or peers. The content of refereed publications is sanctioned, vetted, or otherwise approved by a peer-review or editorial board. The peer-review and evaluation system is utilized to protect, maintain, and raise the quality of scholarly material published in serials. Publications subject to the referee process are assumed, then, to contain higher quality content than those that are not.
Peer Reviewed Journal Article

Physical properties of gasoline, isobutanol and ETBE binary blends in comparison with gasoline ethanol blends

Authors: Miguel Rodriguez-Anton, L; Gutierrez-Martin, F; Doce, Y (2016) HERO ID: 3486711

[Less] The addition of renewable fuels to gasoline, such as bio-alcohols or bio-ethers is required in order . . . [More] The addition of renewable fuels to gasoline, such as bio-alcohols or bio-ethers is required in order to be in compliance with current environmental directives. Nevertheless, they change fuel properties which could affect standards compliance, engine performance and air emissions. This paper studies the impact of ethanol (EtOH), isobutanol (iBtOH) or ethyl tert-butyl ether (ETBE) on the Reid Vapour Pressure (RVP), distillation curves, density and other related gasoline properties, which belong to the group of relevant specifications that affect engine operation. The main conclusion is that the addition of ETBE or iBtOH has important advantages over EtOH in terms of energy density, air/fuel ratio, vapour pressure, renewable content and other effects; it was also found that the addition of ETBE affects equally and linearly the properties of two kinds of base gasolines as compared with other studies. (C) 2015 Elsevier Ltd. All rights reserved.