Aroma Descriptors Research Articles

From (Sub)Porphyrin to (Sub)Phthalocyanine: Aromaticity Signatures in the UV-Vis Absorption Spectra

Understanding the structure-property relationship in (sub)porphyrin and (sub)phthalocyanine derivatives facilitates the design of new materials on demand. One of the main features of these systems are their optical properties, i.e. characteristic Soret and Q absorption bands, which depend on π-delocalization. A possible way to characterize differences in the π system is the theoretical description of the aromaticity, previously used to rationalize the non-optical properties of octaphyrins [1]. However, the high complexity given by the topological flexibility and the existence of multiple π-electron circuits makes it a challenging task [2]. In this work, we analyze the influence structural differences on the aromatic character and the UV/vis absorption spectra of eight (sub)porphyrinoids (Figure 1), including phthalocyanine and subpthalocyanine. We performed calculations at CAM-B3LYP/cc-pVTZ level of theory followed by global and local aromaticity descriptors, providing a qualitative relation between aromaticity and UV-vis absorption spectra. We found that the red shifts in Soret and Q bands observed for tetra/tri-isoindole systems compared to pyrrole analogs correlate with the decrease of global aromaticity due to the inclusion of the fused benzene units. Figure 1

Probing Near-infrared Absorbance of E and Z Diazene Isomers via Antiaromaticity.

The photoswitching behaviors of heteroaryl azos and azobenzenes have attracted considerable interest due to their applications from material science to pharmacology. However, the use of UV light limits their application, especially in biomedicine and photopharmacology. In this work, using several aromaticity descriptors, including anisotropy of the induced current density analysis and nucleus-independent chemical shifts, we systematically investigate the relationship between anti-aromaticity and the absorption of a series of heterocyclic azos. We have demonstrated that the antiaromatic heterocycles substituted with diazenes enable the significant red shifts of the n → π* and π → π* transition bands of E and Z isomers via density functional theory calculations. Moreover, introducing substituents into heterocycles could further tune the absorption. Finally, the λmax of the first transition bands of the E (ca. 1026 nm) and Z isomers (ca. 1167 nm) of azos is achieved in the near-infrared region.

Study of the post-harvest processes of the peruvian chuncho cocoa using multivariate and multi-block analysis

A screening of 24 Chuncho cacao postharvest processes was carried out and three treatments were identified with the best levels of functional non-volatile metabolites and the best profile of volatile metabolites. The relationship between the sensory profile of flavor and aroma, volatile and non-volatile metabolites was investigated by multiblock analysis. The most prominent volatile metabolites were benzaldehyde (Bz), 2,3,5-trimethylpyrazine (TriMP), 2,3,5,6-tetramethylpyrazine (TetraMP), myrcene (Myr), limonene (LM), ethylphenyl acetate (EpHAc) and 2-phenylethyl acetate (pHEthAc), and functional nonvolatile metabolites were total flavonoids (Tflav), total polyphenols (TppH), catechins (Cat), epicatechin (EpCat), caffeine (Caf), and theobromine (TeoB). Sensory analysis by MFA (multiple factorial analysis) allowed checking the substrates of the metabolites and highlighting correlated flavor and aroma descriptors. Based on multiblock analysis, four new descriptors were identified for Bz, Myr, and LM, such as nut, astringent, bitter, and crude. For TetraMP the fruity flavor was identified and for TriMP it was identified as Malt flavor. For Cat, EpCat, Caf, TeoB, Tflav, and TppH, the descriptors bitter, astringent, floral, and fruity were identified. This study will allow Chuncho cocoa farmers and producers to have a cocoa paste production scheme with a high value of functional metabolites and sensory profile, and value this Peruvian accession.

Characterization of the key odorant compounds in ‘Qinguan’ apples (Malus × domestica)

‘Qinguan’ apple is native to China with the outstanding qualities of disease resistance and long storage time. In this study, gas chromatography-mass spectrometry (GC-MS) was used to identify the volatile compounds in peel and flesh of post-harvest ‘Qinguan’ apples. Ninety-four and seventy volatile compounds were identified in ‘Qinguan’ peel and flesh, respectively. Esters and alcohols were predominant in ‘Qinguan’ peel, while alcohols were identified as the main volatiles in ‘Qinguan’ flesh. Odor-active compounds and the sensory profile of ‘Qinguan’ apples were investigated by aroma extract dilution analysis-gas chromatography-olfactometry (AEDA-GC-O) and sensory description analyses. The sensory profile of ‘Qinguan’ apples was mainly characterized by aroma descriptors of fruity and green categories. Among the 15 odor-active compounds with flavor dilution factor (FD) ranging from 3 to 81, hexyl acetate, α-farnesene, hexanol, and hexanal (with FD = 81) were shown to be the most potent odor-active compounds in ‘Qinguan’ apples. Based on the results obtained from GC-MS, AEDA-GC-O, and omission tests, hexyl acetate as the most abundant ester in peel was suggested to be one of the characteristic aroma compounds of ‘Qinguan’ apple, contributing to its strong fruity aroma note, while the other characteristic aroma compound, α-farnesene, was responsible for the green note.

Synthesis of a novel isotopically labelled standard for quantification of γ-nonalactone in New Zealand Pinot noir via SIDA-SPE-GC–MS

γ-Nonalactone is a linear aliphatic lactone ubiquitous in wine, associated with coconut, sweet, and stone fruit aroma descriptors. Little research has been conducted looking at the importance of this compound to New Zealand (NZ) wine aroma. 2H213C2-γ-Nonalactone, a novel isotopologue of γ-nonalactone, was synthesised in this work for use in a stable isotope dilution assay (SIDA) for quantification of γ-nonalactone in NZ Pinot noir wines for the first time. Synthesis was carried out using heptaldehyde as the starting material, and 13C atoms and 2H atoms were introduced via Wittig olefination and deuterogenation steps, respectively. The suitability of this compound as an internal standard was demonstrated by spiking model wine at normal and elevated conditions during sample preparation, with subsequent analysis via mass spectrometry showing stability of 2H213C2-γ-nonalactone. A model wine calibration, with concentrations of γ-nonalactone from 0 to 100 µg L−1, was shown to have excellent linearity (R2 > 0.99), reproducibility (0.72%), and repeatability (0.38%). Twelve NZ Pinot noir wines, representative of a range of NZ Pinot noir–producing regions, prices, and vintages, were analysed by solid-phase extraction–gas chromatography–mass spectrometry (SPE-GC–MS). The concentrations of γ-nonalactone ranged from 8.3 to 22.5 µg L−1, the latter of which was close to the odour detection threshold of this compound. These findings provide a basis for further research into γ-nonalactone and its impact on NZ Pinot noir aroma and provide a robust method for the quantification of this compound in Pinot noir.Graphical abstract

The Effect of Yeast, Sugar and Sulfur Dioxide on the Volatile Compounds in Wine

This study compares three yeast strains: two wild Saccharomyces cerevisiae strains (Sc1 and Sc5) and a commercial strain (Lc). The objective is to assess their fermentation efficiency and volatile compound production. The factors examined are yeast strain, initial sugar concentration of the must, and the presence of sulfur dioxide. Volatile aroma compounds, determined via GC–MS, were categorized into aromatic series based on aroma descriptors. Out of the volatile compounds analyzed, the yeast strain influenced 39, while sugar content and sulfur dioxide affected 16 and 23 compounds, respectively. Twelve compounds displayed odor activity values exceeding unity, with notable contributions from ethyl esters, β-damascenone, and β-ionone, impacting fruit, floral, and herbal aromatic series. Overall, the Sc1 yeast strain exhibited higher values in the aromatic series compared to the Lc strain. Multivariate analysis revealed that the Sc1 strain highlighted green fruit, citrus, and spice series, while the Lc strain stood out for smoky and herbal aromas. Cluster and principal component analyses emphasized that the aromatic composition of wines produced with wild yeast strains is more influenced by sulfur dioxide than initial sugar content, whereas the opposite holds true for the commercial strain. The key aroma series distinguishing between yeast strains were fruity, green fruit, and citrus for Sc1, and herbal, floral, and smoky for Lc. In conclusion, the Sc1 wild yeast strain showed similar fermentation behavior to the commercial strain, resulting in increased aroma compound presence. The distinctive aromatic profiles contributed by each strain enable winemakers to leverage this diversity and create wines that emphasize specific aromas.

Forastero and Criollo cocoa beans, differences on the profile of volatile and non-volatile compounds in the process from fermentation to liquor

Cocoa bean fermentation is an important process because during this process, aroma compounds are produced, the astringency decreases, and the embryo dies. The fermentation processes of the Criollo and Forastero types have been studied separately without comparing them at the same time and in the same place. The aim of this work was to determine differences in the profile of volatile and nonvolatile compounds of Criollo and Forastero cocoa from the fermentation process to the final stage of obtaining the liquor. The experiments were carried out at the same time in the Maya region. Volatile compounds were determined by HS-SPME GC–MS (headspace solid phase-microextraction with gas chromatography-mass spectrometry). Sugars, organic acids, and alkaloids were determined by ultrahigh-performance liquid chromatography (UHPLC-PDA/UV). Criollo cocoa liquor was defined by the volatile and nonvolatile compounds such as acetic acid, phenylethyl alcohol, benzaldehyde, 2-phenylethyl acetate, acetophenone and 3-methylbutanal., which are associated with sour, honey, almond, flowery and chocolate aroma. Forastero cocoa liquor was represented with a significant difference by acetic acid, isobutyl acetate, 2,3-diethyl-5-methylpyrazine and ethyl octanoate and these could provide aroma descriptors such as sour, fruity and nutty. This study characterized for the first time the dynamics of volatile compounds during the fermentation, drying, and roasting stages and in the final cocoa liquor of Criollo and Forastero from cocoa beans of the same origin.

Sensory evaluation of wine aroma: Should color-driven descriptors be used?

The vocabulary used to describe wine aroma is commonly organized according to color, raising the question of whether they reflect the reality of olfactory perception. Previous studies have assumed this convention of color-aroma matching, and have investigated color’s influence on the perception of aroma only in dyed white wine or in red wine from particular places of origin. Here the aromas of 48 white and red varietal wines from around the world were evaluated in black glasses then in clear glasses by a panel of wine experts. As wine color was made visible, ratings for green fruit, citrus fruit, and stone fruit generally decreased among the red wines and increased among the white wines, while the opposite occurred for red fruit, dark fruit, and oak. The dependence of these aroma descriptors on visual input suggests their usage is more cognitive than perceptual. The influence of color was indirectly evident even in black glasses: three oaked Chardonnays were rated highly in red fruit and dark fruit, relative to the unoaked white wines, suggesting the judges here associated oak with red wine and consequently used oakiness to deduce wine color before rating the aromas believed to be appropriate. Findings suggest color-driven descriptors, used when wine color can be seen or surmised, do not foster objective assessments of wine aroma.

Effect of microencapsulated inoculum of Pichia kudriavzevii on the fermentation and sensory quality of cacao CCN51 genotype.

Microencapsulated yeasts are a novel alternative as a delivery matrix for microbiological starters. This technology aims to protect the active compounds from adverse environmental conditions and prolong their useful life and could also improve the conditions of the starters for cocoa fermentation. The present study established the effective dose to apply the microencapsulated yeast Pichia kudriavzevii as a microbiological starter of fermentation and biotechnological strategy for promoting the biochemical dynamics and sensory expression of the cocoa variety CCN-51. For this, 0.5%, 1%, 2%, and 3% of microencapsulated P. kudriavzevii yeast insolated from the artisanal fermentation process of cocoa was added to the cocoa mass to be fermented and studied on a laboratory scale. The partial least squares regression of fermentation was related in four quartiles, comprising the hedonic judgments of the sensory evaluation with the biochemical traits of the cocoa liquor, finding a high correlation between the physicochemical variables total phenols, percentage of insufficiently fermented grains, and percentage of total acidity, with a level of bitterness and defects found in liquors with the addition of 0.5% of microencapsulated starter. The treatments with the addition of 2% and 3% of the inoculum showed a high correlation between the variables pH, total anthocyanins, cocoa, fruity and floral aromas, sweet taste, and general aroma perception. The higher presence of volatile compounds such as 2,3-butanediol associated with cocoa aroma and 1-phenyl-2-ethanol and acetophenone associated with aromatic descriptors of fruity and floral series allowed establishment in 2% of microencapsulated P. kudriavzevii yeast, comprising the effective dose for promoting the biochemical dynamics of laboratory-scale fermentation and the development of cocoa, as well as the fruity and floral aromas of cocoa CCN-51 liquor. The microencapsulation is suitable for cocoa starters. © 2023 Society of Chemical Industry.

Varietal thiols levels and sensory effects in South African Colombard wines

The levels of varietal thiols and the role these compounds play in Colombard wine have not been investigated in detail. This study assessed the levels of the varietal thiols 4-methyl-4-sulfanylpentan-2-one (4MSP), 3-sulfanylhexyl acetate (3SHA) and 3-sulfanylhexan-1-ol (3SH) and their sensory effects in 24 young South African Colombard wines. Levels of 3SHA and 3SH were, in general, in line with those previously reported in South African Chenin blanc and Sauvignon blanc wines. Levels of 4MSP were, in general, found at a narrower range than those reported for Sauvignon blanc wines. Twelve of these wines were also sensorially analysed by a panel of wine industry experts. Aroma descriptors, such as guava, passion fruit, sweat and tomato leaf, which have previously been linked to 3SH and 3SHA, were also found, especially in the wines containing higher levels of these two compounds. Good correlations between 3SHA and sweat and guava were found. This study contributes to the knowledge of varietal thiol levels and their role played in 24 Colombard white wines. It could also lead to wine producers adapting their winemaking g practices to increase levels of varietal thiols if the aroma characteristics linked to these compounds are sought after in this single cultivar wine.

Comparaison de pratiques d’acidification en vinification en rouge : impacts sur l’acidité, les caractéristiques chromatiques et organoleptiques des vins

Results reveal differences for the acidifying level in seven studied approaches. Physical methods enable a precise pH decrease with an advanced automation of equipment. Chemical acidifying level is variable. Tartaric acid is the one that modifies the most pH but foreseeing the level of acidifying remains uneasy because of tartaric precipitations. Malic and lactic acids seem to play more on total acidity increase than on pH decrease. Fumaric acid has a limited impact on both total acidity and pH. Wine color is impacted another way, depending on which technique of acidifying is used. Chemical acidifying increases the coloring intensity of wines with pH increase. Under the assay conditions, using ions exchanging resins lead to a drop of polyphenols and results in a Modified Coloring Intensity (IC’) reduction. However chromatic features are clearly improved with physical techniques which develop brighter colors (Chroma increase). pH decrease has significant results on the content of aromatic molecules. Low pH stimulates the creation of ethyl esters and protects norisoprenoids in rising the proportion of molecular sulfur. In organoleptic terms, sour perception, aromatic intensity (nose and mouth) and aromatic descriptors are increasing for the batches that have been acidified. Yet there are differences according to the acidifying method used. The rise of sour perception has influences on taste with a lower volume for acidified wines.

Revealing the sensory impact of different levels and combinations of esters and volatile thiols in Chardonnay wines

The assessment of different aroma families on tropical fruit aroma perception is still not well understood. This study aimed to investigate the effect of esters and volatile thiols on tropical fruit aroma perception in white wines. Four levels of thiols (none, low, medium and high) and three levels of esters (none, low, medium) were added to a dearomatized white wine base in a full factorial design. Check-All-That-Apply (CATA) was used to determine the aroma descriptors that most differentiated the wines followed by Sensory Descriptive Analysis (SDA) to evaluate the intensity of those significant aroma attributes. More than 78% of the total variance was described in the first two dimensions when using Canonical Variate Analysis. Tropical fruit aromas were associated with wines containing different levels of esters and ester-thiol combinations. Volatile thiols alone imparted an earthy aroma and were grouped with the control wine. The different ester-thiol combinations altered the tropical fruit aroma quality in the wines from citrus to passionfruit, pineapple and guava. Understanding the cause of tropical fruit aroma allows for targeted processing to achieve the desired wine sensory quality.

Characterization of Boğazkere wines from different locations in Turkey relating aroma and sensory properties using chemometrics

Boğazkere (BG) is one of the primary grape varieties that Turkey utilizes to produce premium red wine. Using chemometrics, this research was to investigate the aroma composition and sensory attributes of BG wines from various vintages and locations (Çermik/Diyarbakır, Güney/Denizli, and Pendore/Manisa). Using GC/MS/FID, GC-O, and Descriptive Analysis, aroma, aroma-active compounds, and sensory evaluations were identified and quantified, respectively. To determine the relationship between chemical result and sensory perception, PLS Regression (PLSR) was used. Principal component analysis (PCA) was used to evaluate the sensory results. There have been identified 93 aroma compounds, 29 of which are aroma-active compounds for which modified frequency (MF%) values have been determined. Compounds with high MF% values in BG wines include ethyl-3-methyl-butanoate/ethyl-2-methyl-butanoate (86), ethyl-2-methyl-propanoate (83), isoamylalcohol (82), ethylhexanoate (80), diethylsuccinate (77), and 2-phenylethylalcohol (75). The most prominent attributes associated to these compounds are those of black-fruit, red-fruit, strawberry, raspberry, banana, dry-fruit, cheery and spicy. PCA indicated that the most prevalent aroma descriptors for BG wines are black fruit, dried fruit, red fruit, confectionery, and spicy. Although dry-fruit, black-fruit, and spicy notes are more prevalent in wines from Diyarbakır, red-fruit and confectionary odours are more prevalent in wines from Denizli and Manisa. Red-fruit attributes in wines were positively correlated with diethyl-dl-malate, ethyl-butanoate, ethyl-hexanoate, ethyl-octanoate, ethyl-decanoate, ethyl-3-methylbutanoate, and ethyl-2-methylbutanoate, depending on PLSR. Ethyl-2-hydroxy-methylpentanoate, 4-ethoxycarbonyl-gamma-butyrolactone, gamma-nonalactone, pantolactone, and ethyl-2-methyl-propanoate were positively correlated with the dark fruit attribute of wines. Ethyl-2-hydroxy-4-methyl-pentanoate and gamma-nonalactone compound, which gives the odours of black fruit (blackberry), is particularly noticeable in Diyarbakır wines.

Exploring the influence of graphene on antiaromaticity of pentalene.

Theoretical investigations on the influence of graphene fragments on the antiaromaticity of pentalene are conducted by employing multiple aromaticity descriptors based on magnetic, geometric and electronic criteria. NICS as a sole descriptor for analysing the antiaromaticity of pentalene on graphene fragments has to be carefully considered while looking through the other aromaticity indicators.

Analyzing Volatile Compounds of Young and Mature Docynia delavayi Fruit by HS-SPME-GC-MS and rOAV.

This study focused on the examination of the volatile compounds and fragrance properties of the young and mature fruit of Docynia delavayi. Headspace solid-phase microextraction combined with gas chromatography−mass spectrometry (HS-SPME-GC-MS) was applied for identifying 42 volatile compounds, with young and mature fruit containing 36 and 42 compounds, respectively. Heat map cluster analysis, principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), and independent sample t-testing were used to analyze sample differences. Based on a variable importance in projection (VIP) > 1 and p < 0.05, 23 key volatile compounds such as octanal, geranylacetone, butyl acetate, and dihydro-β-ionone were screened. β-Ionone and phenethyl acetate made the largest contribution to the aroma of D. delavayi after analyzing the relative odor activity value (rOAV) of the key volatile compounds and their aroma descriptors. Young D. delavayi fruit exhibited a prominent woody scent, while mature D. delavayi fruit had more intense floral and rosy aromas. The findings may lay a foundation for comprehensively developing and utilizing D. delavayi fruit.

Adaptation of expert wine assessors to less familiar sensory testing methods without pretraining

Wine sensory testing is carried out by assessors who are usually selected and prepared depending on the test type, and their skills may vary depending on various factors. Expert wine assessors should have superior sensory evaluation abilities, an expert grape and wine knowledge level but even more assessment competence. The aim of this research was to test the competencies of certified Croatian expert wine assessors using a less-familiar descriptive sensory methodology with no preliminary training. These assessors are highly educated in viticulture and/or enology and work in this sector. They have certified sensory skills and shorter or longer experience in sensory testing wines with Geographical indications. Twenty-three assessors participated in the study, and the results were segmented by gender and age. The testing was performed in a laboratory accredited by ISO/IEC 17025. Graševina and Zweigelt wines were tested, and two groups of attributes were analyzed (main quality attributes and specific aroma descriptors). Qualitative and quantitative statistics showed that expert wine assessors had a very similar approach in the choice of descriptors and the perception of their intensity. No difference was obtained in testing any attribute and descriptor, neither for any wine nor between segmented groups concerning age. A significant difference was observed only between women and men in their perception of the two specific aroma descriptors. The results confirmed that combining expert knowledge and experience based on professional education and continuous analytical work can replace a lack of experience in some less-familiar methods.

Theoretical insight on model linear oligomers and their ring-fused analogs used in organic electronics

Theoretical systematic study compares chemical and electronic structure of six series of linear aromatic oligomers and their ring-fused analogues with various chain length of 5- and 6-membered rings. Chemical structure was described by structural HOMED and one-electron density topology EL aromaticity descriptors. The calculations demonstrated that the diradical electronic ground-state system is energetically preferred for larger six-membered acenes where the electronic structure can be separated into two linear polyene chains. The influence of intermolecular interaction on the aromaticity perturbation in crystals was also analyzed for 20 available X-ray structures. The aromaticity of central ring is lowered for longer molecules in solids. Next, the primary effect of aromatic chain elongation on frontier orbital energies and vertical excitation energies was predicted. The calculated data were correlated with experimental ones and polymer limits on investigated properties were estimated. Quantitative criteria of aromaticity were explored for various linear organic molecules with increasing chain lengths to extrapolate electronic properties at the polymer limit. • Systematic DFT study of linear oligomers and ring-fused analogues. • The aromaticity indices are evaluated. • The structural conditions for diradical system are determined. • Electrochemical band gaps and optical transitions are calculated. • Polymer limits on investigated properties are estimated.

Structure–aromaticity–reactivity relationship of one‐ and two‐dimensional polyaromatic hydrocarbons and polyborazines

AbstractBoth graphene and hexagonal boron nitride (h‐BN) have found their application in catalysis and electronic devices owing to their unique π electronic nature. However, it remains unclear on how their sizes and growing modes influence their electronic properties. In order to extensively understand their structure–property relationship to stimulate and assist potential applications, in this work, the electronic structures of the polyaromatic hydrocarbons (PAHs) and polyborazines (boron nitride nanosheets, BNNSs) were analyzed by means of density functional theory calculations to investigate how the one‐ and two‐dimensional growth of their building blocks, benzene and borazine, respectively, may modulate/govern their aromaticity and reactivities. The analysis shows that the aromaticity and reactivity of PAHs exhibit significant response to their geometries, while the properties of BNNSs show strong localization nature and are nearly size‐independent. This unique nature of BNNSs is different from both the organic polyaromatic molecules and the inorganic metal/metal oxides whose reactivity may be significantly enhanced upon modulating their sizes, and offers implications in the design of new materials grafted by BNNS for manipulatable electronic properties. This study also brings caution on the application of widely used aromaticity descriptors, and shows that in general the descriptors derived from electronic structure are more reliable.

Human olfactory discrimination of genetic variation within Cannabis strains.

Cannabis sativa L. is grown and marketed under a large number of named strains. Strains are often associated with phenotypic traits of interest to consumers, such as aroma and cannabinoid content. Yet genetic inconsistencies have been noted within named strains. We asked whether genetically inconsistent samples of a commercial strain also display inconsistent aroma profiles. We genotyped 32 samples using variable microsatellite regions to determine a consensus strain genotype and identify genetic outliers (if any) for four strains. Results were used to select 15 samples for olfactory testing. A genetic outlier sample was available for all but one strain. Aroma profiles were obtained by 55 sniff panelists using quantitative sensory evaluation of 40 odor descriptors. Within a strain, aroma descriptor frequencies for the genetic outlier were frequently at odds with those of the consensus samples. It appears that within-strain genetic differences are associated with differences in aroma profile. Because these differences were perceptible to untrained panelists, they may also be noticed by retail consumers. Our results could help the cannabis industry achieve better control of product consistency.

Identification of volatile compounds contributing to pennycress aroma

AbstractThe volatile compounds inherent to wild‐type pennycress seeds were determined using solvent‐assisted flavour extraction (SAFE), combined with gas chromatography‐olfactometry (GC‐O) and aroma extraction dilution analysis (AEDA). In this research, twenty‐nine aroma‐active compounds were detected via GC‐O. With the aid of gas chromatography–mass spectrometry (GC‐MS), retention indices, aroma descriptors and standard chemical verification, ten volatile compounds were positively identified: 2,5−/2,6‐dimethyl‐3‐methoxypyrazine (grassy), allyl isothiocyanate (mustard, horseradish, onion), hexanal (green), (E)‐2‐octenal (earthy), acetic acid (sour), (E)‐2‐nonenal (woody), 1‐octanol (grassy), 1‐nonanol (green), 2‐methylbutanoic acid/3‐methylbutanoic acid (cheesy) and phenethyl alcohol (rose‐like). By matching odour descriptions, mass spectra and retention indices, seven additional volatile compounds were tentatively identified: 1‐pentanol, octanal, (E)‐2‐penten‐1‐ol, (E)‐2‐heptenal, (Z)‐3‐hexen‐1‐ol, (E, E)‐3,5‐octadien‐2‐one and pentanoic acid. These results provide an aroma analysis of pennycress, which can be useful in providing direction for pennycress breeding programs or tailored processing steps to eliminate the undesirable aroma components limiting the use as a food ingredient.