Combination of chemical and electron-impact ionisation with GC×GC–qMS for characterization of fatty alcohol alkoxylate polymers in the low-molecular-weight range up to 700 Da

Dück, Roman; Wulf, Volker; Geißler, Margit; Baier, Hans-Ulrich; Wirtz, Michaela; Kling, Hans-Willi; Gäb, Siegmar; Schmitz, Oliver J.

doi:10.1007/s00216-009-3434-0

Cited by 7 publications

(4 citation statements)

References 27 publications

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“…At total carbon contents above 10, oligomers eluted in clusters of three and were grouped with the same total number of carbon atoms in the structure (e.g., C 10 EO 0 , C 8 EO 1 , and C 6 EO 2 , defining a shorthand of C x EO n for all, where x denotes the alkyl (C) chain length and n is the ethylene oxide (EO) number). These patterns were identified in previous work, 25,26 and mass spectral matching provided further confirmation (Figures S3−S9). Injection efficiencies improved at a high temperature (300 °C), and no carryover was observed (Figure S2).…”

Section: ■ Results and Discussionsupporting

confidence: 85%

Oligomer-Specific, Short Chain Linear Alcohol Ethoxylate Quantification via Comprehensive Two-Dimensional Gas Chromatography

Drollette

Brenneis

Plata

2018

Environ. Sci. Technol. Lett.

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Non-ionic linear alcohol ethoxylated surfactants (LAEs) make up a broadly utilized class of compounds commonly employed in unconventional hydraulic fracturing activities. However, current detection and quantification methods fail to operate in relevant concentration ranges and are limited in specificity because of a lack of access to all analytical standards for individual LAE oligomers. Here, we present a novel extraction and quantification technique for aqueous samples containing both petroleum hydrocarbons and short chain LAEs with alkyl chain lengths of 6−10 carbons and 0−9 ethylene oxide groups. Using liquid−liquid extraction and two-dimensional gas chromatography with flame ionization detection, the method provided over 80 and 100% recovery of LAEs and n-alkane hydrocarbons, respectively. Individual LAE oligomers were quantified using calibration curves of n-alkanes and adjusted response factors based on the effective carbon number (ECN) concept, and we present a detailed framework for calculating ECN using primary alcohol standards and ether functional group contributions. This method was applied to a centralized waste treatment facility effluent discharging directly into a local river in Pennsylvania and indicated parts per million-level discharges of individual oligomers. This first demonstration of LAE and petroleum hydrocarbon quantification will gain utility as researchers seek to understand the environmental fate of these industrially important chemicals.

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Section: ■ Results and Discussionsupporting

confidence: 85%

Oligomer-Specific, Short Chain Linear Alcohol Ethoxylate Quantification via Comprehensive Two-Dimensional Gas Chromatography

Drollette

Brenneis

Plata

2018

Environ. Sci. Technol. Lett.

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“…The alkyl PEG/PPG ethers, such as alkoxylate polymers, are generally not defined as a single compound but as a mixture of a homologous series with a medium-range molecular weight and a specific percentage by weight of the hydrophobic tail. 27 The degree of hydrophobicity and hydrophilicity are fine-tuned by the components that make up each ether. The hydrophobicity of the product can be controlled by the fatty alcohol used and the distribution of the propylene glycol block; alternatively, the hydrophilicity is controlled by varying the length and position of the ethylene glycol repeats.…”

Section: Physical and Chemical Propertiesmentioning

confidence: 99%

Safety Assessment of Alkyl PEG/PPG Ethers as Used in Cosmetics

Fiume¹,

Heldreth²,

Bergfeld³

et al. 2016

Int J Toxicol

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The Cosmetic Ingredient Review (CIR) Expert Panel assessed the safety of 131 alkyl polyethylene glycol (PEG)/polypropylene glycol ethers as used in cosmetics, concluding that these ingredients are safe in the present practices of use and concentration described in this safety assessment when formulated to be nonirritating. Most of the alkyl PEG/PPG ethers included in this review are reported to function in cosmetics as surfactants, skin-conditioning agents, and/or emulsifying agents. The alkyl PEG/PPG ethers share very similar physiochemical properties as the alkyl PEG ethers, which were reviewed previously by the CIR Expert Panel and found safe when formulated to be nonirritating. The alkyl PEG ethers differ by the inclusion of PPG repeat units, which are used to fine-tune the surfactant properties of this group. The Panel relied heavily on data on analogous ingredients, extracted from the alkyl PEG ethers and PPG reports, when making its determination of safety.

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“…Derivatization is almost always performed for larger alcohols to reduce boiling points [46,49], reduce adsorption and improve separation of analytes [50]. Often, the hydroxyl group is silylated prior to injection [51,52]. In some cases, derivatization prevents the fragmentation of analytes, and therefore, the mass spectra of derivatized alcohols become much simpler [53].…”

Section: Alcoholsmentioning

confidence: 98%

New derivatization strategies for the ultrasensitive analysis of non-aromatic analytes with APLI-TOF-MS

2015

Self Cite

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Atmospheric pressure laser ionization (APLI) (Constapel et al. in Rapid Commun Mass Spectrom 19:326-336, 2005; Schiewek et al. in Anal Chem 79:4135-4140, 2007; Schmitz and Benter (2007) J Chromatography Library 72:89-114) is an ultra-sensitive and selective ionization method for the determination of polycyclic aromatic compounds. The selectivity is an advantage but also a disadvantage. To overcome the limitation of APLI to aromatic compounds, we have already reported some derivatization strategies for common organic functional groups (Schiewek et al. in Angew Chem Int Ed 47:9989-9992, 2008). Here, we describe the synthesis of new APLI ionization labels and their use in new derivatization strategies. These new labels widen the range of APLI-(TOF)MS analysis to non-aromatic compounds with the most common functional groups such as amines, alcohols and carboxylic acids to gas chromatography (GC) and lower the limits of detection (LOD) down to concentrations as small as pmol/L and attomole on column.

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Combination of chemical and electron-impact ionisation with GC×GC–qMS for characterization of fatty alcohol alkoxylate polymers in the low-molecular-weight range up to 700 Da

Cited by 7 publications

References 27 publications

Oligomer-Specific, Short Chain Linear Alcohol Ethoxylate Quantification via Comprehensive Two-Dimensional Gas Chromatography

Oligomer-Specific, Short Chain Linear Alcohol Ethoxylate Quantification via Comprehensive Two-Dimensional Gas Chromatography

Safety Assessment of Alkyl PEG/PPG Ethers as Used in Cosmetics

New derivatization strategies for the ultrasensitive analysis of non-aromatic analytes with APLI-TOF-MS

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