Propyl Acetate Research Articles

Nucleation behavior of isosorbide 5-mononitrate revealed from metastable zone widths by combining nucleation theory model and molecular simulation

Isosorbide 5-mononitrate (5-ISMN) crystal has a needle-like morphology with an aspect ratio greater than 20, which brings great inconvenience to post-processing and storage processes. However, it is difficult to solve the above problem due to the missing study of 5-ISMN nucleation process in solution. The main purpose of this article is to study the nucleation behavior of 5-ISMN by the metastable zone width (MSZW) experiment, the semi-empirical Nývlt model and the modified Sangwal’ s theory in n-propanol, n-butanol, n-propyl acetate and n-butyl acetate systems. The results indicated that when the saturation temperature decreases or the cooling rate increases, the value of interfacial energy (γ) increases, while the value of pre-exponential factor (A) basically unchanged, which was strongly related to the properties of the solvent itself. The nucleation rate (J) was found to be competitively related to the saturation temperature (T0) and chemical potential (Δμ). Meanwhile, molecular simulations revealed that the value of nucleation rate J and solute–solvent interactions were closely related.

Production of C3 -C6 Acetate Esters via CO Electroreduction in a Membrane Electrode Assembly Cell.

Electrocatalytic carbon monoxide reduction has been previously reported to yield a range of carbonaceous products including alcohols, hydrocarbons and carboxylic acids. However, esters, an important family of organic compounds, have not been formed. Herein, we report the electrosynthesis of C3 to C6 acetate esters (H3 C-(C=O)-O-R) from carbon monoxide using copper catalysts in a membrane electrode assembly cell. Ethyl acetate and propyl acetate could be produced with an unprecedented total Faradaic efficiency (FE) of ∼22 % and with a current density of up to -55 mA cm-2 , alongside minor quantities of methyl acetate and butyl acetate. The esters are produced via the addition reaction of ethenone (H2 C=C=O) and alcohols produced during CO reduction. We show that the near water-free reaction conditions and the high local pH play key roles in the formation of the esters.

Production of C3–C6 Acetate Esters via CO Electroreduction in a Membrane Electrode Assembly Cell

AbstractElectrocatalytic carbon monoxide reduction has been previously reported to yield a range of carbonaceous products including alcohols, hydrocarbons and carboxylic acids. However, esters, an important family of organic compounds, have not been formed. Herein, we report the electrosynthesis of C3 to C6 acetate esters (H3C−(C=O)−O−R) from carbon monoxide using copper catalysts in a membrane electrode assembly cell. Ethyl acetate and propyl acetate could be produced with an unprecedented total Faradaic efficiency (FE) of ∼22 % and with a current density of up to −55 mA cm−2, alongside minor quantities of methyl acetate and butyl acetate. The esters are produced via the addition reaction of ethenone (H2C=C=O) and alcohols produced during CO reduction. We show that the near water‐free reaction conditions and the high local pH play key roles in the formation of the esters.

Exploration of liquid-liquid equilibrium and interaction between guaiacol and water extracted by four ester solvents

Four ester solvents were selected as extractants and compared to explore the separation process of recovering guaiacol from an aqueous solution. The liquid-liquid equilibrium (LLE) data for water + guaiacol+ {methyl acetate, ethyl acetate, n-propyl acetate or n-butyl acetate} were measured in 303.2 K and 101.3 kPa. The separate performance in the four extractants was compared and evaluated by the distribution coefficient (D) and the separation factor (S). The NRTL and UNIQUAC models were correlated and fitted to experimental data to obtain regression parameters. Furthermore, the hybrid surface analysis based on Gibbs energy topology verified that the binary interaction parameters are consistent with the measured data. The root mean square deviation (RMSD) of the NRTL and UNIQUAC model does not exceed 0.0076 and 0.0086, respectively, indicating that the above models are suitable for studying the correlation of the system. In addition, the interaction and interaction energy between component molecules were studied through the DMol3 module.

Rational design of electrolytes operating at low temperatures: Does the co-solvent with a lower melting point correspond to better performance?

To achieve desirable performance of lithium-ion batteries at low temperatures, using co-solvents with low melting points, especially carboxylic esters, is an efficient strategy and thus, there is a general question: does the co-solvent with a lower melting point correspond to the composite electrolytes with better performance? Herein, we chose two constitutional isomers with 22 °C of difference in melting point, ethyl propionate and propyl acetate, as the co-solvent in the formula of two low-temperature electrolytes for comparison. At low temperatures, the Li||LiNi0.8Co0.1Mn0.1O2 coin cells and graphite||LiNi0.8Co0.1Mn0.1O2 pouch cells using the two electrolytes show close capacity retention, suggesting that the co-solvent with a lower melting point does not necessarily result in better low-temperature performance. Molecular dynamics simulations indicate that the similar solvation structure of contact ion pair for the two electrolytes is mainly responsible for their similar low-temperature performance. Furthermore, the Li||LiNi0.8Co0.1Mn0.1O2 and graphite||LiNi0.8Co0.1Mn0.1O2 cells with the two electrolytes at ambient temperature show capacity retention of 84.1%, 84.3% after 200 cycles and 88.2%, 89.6% after 360 cycles, respectively, demonstrating the reliability of the electrolytes. The results of this study provide general guidance for the development of low-temperature electrolyte regarding the choice of co-solvents.

Solubility study of m-aminobenzoic acid form III in different mono-solvents by thermodynamic analysis and molecular simulation

The solid–liquid equilibrium behavior of m–aminobenzoic acid (m–ABA) form III in eleven mono–solvents (methanol, ethanol, n–propanol, isopropanol, n–butanol, methyl acetate, propyl acetate, butyl acetate, acetone, butanone and water) was investigated in the temperature from 283.15 K to 323.15 K. Solubility data were successfully described and correlated by four thermodynamic models, and all calculated ARD% values are lower than 5%. The thermodynamic functions of mixing were calculated and analyzed based on the NRTL model, and the results show that the mixing process is spontaneous and entropy–driving. The characteristics of m–ABA form III both in solution and solid phases were studied. Molecular electrostatic potential surface has been employed to present the overall charge distribution and estimate intermolecular interactions between the form III and solvents. Hirshfeld surface analysis has been applied to visualize various molecular interactions. Besides, the effect of selected solvent properties on the dissolution behavior of m–ABA form III was examined. Finally, molecular simulations have been further applied to disclose the interactions between solute and solvent molecules. This work has guiding significance for the design and optimization of the m–ABA crystallization process.

Solubility, thermodynamic properties and molecular simulation of tinidazole in fourteen mono-solvents at different temperatures

The solubility properties of tinidazole (TNZ) in investigated fourteen mono-solvents were further studied at several temperature points (278.15 K ∼ 323.15 K) under 101.2 kPa using the laser monitoring technique. The selected solvents were acetone, methanol, ethanol, 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, 2-butoxyethanol, methyl acetate, ethyl acetate, n-propyl acetate, n-butyl acetate, NMP, DMF, DMAC, respectively. The order of solubility of tinidazole in fourteen mono-solvents at 298.15 K is: NMP > DMAC > DMF > acetone > 2-methoxyethanol > methylacetate > 2-ethoxyethanol > ethyl acetate > 2-propoxyethanol > n-propyl acetate > 2-butoxyethanol > n-butyl acetate > methanol > ethanol. As shown by the solubility data of TNZ in chosen fourteen mono-solvents in this work, TNZ is more soluble in higher temperature. The KAT-LSER model and molecular dynamics simulation were adopted to probe the influence of solvent effects and solute–solvent interaction on TNZ solubility. The obtained solubility data of TNZ was fitted by (λh equation, NRTL model, NRTL-SAC model, two-Suffix Margules model, and UNIQUAC model). The results indicate that five models can fit the experimental values well, in which the NRTL-SAC model gives the best regression effect. Moreover, the apparent thermodynamic properties (△solG°, △solH° and △solS°) of TNZ in various solvents were calculated by Van’t Hoff equation. In accordance with the analysis and calculation of dissolution, the dissolution process is is entropy-motivated and endothermal.

Comparative metabolome and transcriptome analyses of the properties of Kluyveromyces marxianus and Saccharomyces yeasts in apple cider fermentation

This study explored the application of Kluyveromyces marxianus and Saccharomyces cerevisiae (commercial and wild type) in the alcoholic fermentation of Fuji apple juice under static conditions. Metabolome analyses revealed that ethyl esters, including ethyl hexanoate, ethyl decanoate, ethyl octanoate, octanoic acid and decanoic acid, were the dominant components in ciders fermented by the Saccharomyces yeasts. In the K. marxianus ciders, ethyl acetate, hexyl acetate, propyl acetate and acetic acid were the most abundant volatiles, suggesting that the cider fermented by K. marxianus might have a fruitier smell. Transcriptome analyses were adapted to gain insight into the differential metabolite patterns between K. marxianus and S. cerevisiae during cider fermentation. GO and KEGG enrichments revealed that the metabolic pathways of glucose, organic acids and amino acids during cider fermentation were quite different between these two yeasts. The K. marxianus strain exhibited a higher rate of glycolysis and ethanol fermentation than did Saccharomyces yeasts under oxygen-limited conditions. It also reduced the metabolic flux of acetate into acetyl-CoA and then into the TCA cycle, increasing the syntheses of ethyl acetate and relevant esters, which may affect its cell growth under anaerobic conditions but enriched the taste and variety of aromas in apple cider.

Comments on “Volumetric, acoustic and IR spectroscopic properties of binary mixtures (1,2-diaminopropane + methyl-, ethyl-, n-propyl- and n-butyl acetates: A combined experimental and first-principles investigation”

A polemic is given regarding the volumetric properties reported in the published by Parmar and coworkers. The authors’ calculated partial molar volumes and partial molar excess volumes of the individual mixture components are both found to be thermodynamically inconsistent with the respective excess molar volumes of the four binary systems containing 1,2-diaminopropane and alkyl acetates (methyl acetate, ethyl acetate, propyl acetate and butyl acetate).

Solubility, MD simulation, thermodynamic properties and solvent effect of perphenazine (Form I) in eleven neat organic solvents ranged from 278.15 K to 318.15 K

Perphenazine has rather effective in the treatment of mental illness. In this work, the solid-liquid equilibrium data of perphenazine in eleven organic neat solvents were determined by laser dynamic method under the atmospheric pressure and temperature range of 278.15 K ∼ 318.15 K. The selected solvents were n-propanol, n-butyl alcohol, methyl acetate, ethyl acetate, n-propyl acetate, n-amyl acetate, N, N-dimethylformamide (DMF), N, N-dimethylacetamide (DMAC), acetone, 2-methoxyethanol, glycol ether, respectively. From the results, the solubility of perphenazine is all positively correlated with temperature. Separately, we have adopted the KAT-LSER model and molecular dynamics simulation to investigate the influence of solvent effects and solute-solvent interaction on solute solubility. Meanwhile, there were four activity coefficient models being used to correlate the solubility data and Average relative deviation of models are 4.13% (Margules model), 3.94% (NRTL model), 4.49% (NRTL-SAC model) and 3.06% (UNIQUAC model), respectively, all of which do not exceed 5%. It manifests that the four activity coefficient models can fit the experimental values well, in which the UNIQUAC model gives the best regression effect. Moreover, the apparent thermodynamic properties(△solG°, △solH° and △solS°) of perphenazine in various solvents were calculated by Van’t Hoff equation. In accordance with the analysis and calculation of dissolution, the dissolution process is an endothermic entropy-driven process. This research can provide basic data for the crystallization process of perphenazine.

Energy-saving and environmentally friendly pervaporation-distillation hybrid process for alcohol and ester recovery from wastewater containing three binary azeotropes

• The separation of PAC/ IPA/Water by extractive distillation process was studied. • The intensified and hybrid process are further developed. • The GWP and AP of the pervaporation-distillation hybrid process were studied. Herein, the development of a basic extractive distillation process for the separation of an ester/alcohol/water system, e.g., N-propyl acetate (PAC)/isopropanol (IPA)/H 2 O, is reported. To reduce the energy consumption of the process, mechanical vapor recompression technology was added to the basic extractive distillation process, and the heat exchange network was redesigned to further develop an enhanced distillation process. A hybrid pervaporation-distillation process was also developed to improve the high energy consumption of the solvent recovery tower used in the traditional extractive distillation process. Compared with the basic process, the total annual cost of the enhanced distillation process is 36.03% lower; thus, it is more economical. The global warming potential and acid potential of the hybrid pervaporation-distillation process are 500 kg CO 2-ep and 0.75 kg SO 2-ep , respectively, which indicates an improved environmental performance compared with that achieved by the traditional process. Although the economic advantage of the hybrid process compared with the enhanced distillation process is not clear when taking into account the high equipment cost, the hybrid process exhibits clear environmental performance advantages.

Study of the effect of some herbicides on the volatile composition of red wines from Cabernet sauvignon

Gas chromatographic study (GC-FID) to determine the volatile composition of wines (two harvests - 2018 and 2019) of the Cabernet Sauvignon variety with the treatment of experimental plantations with herbicides Pledge 50 WP (flumioxazin), Lumax 538 SC (s-metolachlor + terbuthylazine + mesotrione) and Guild (pyraflufen-ethyl + glyphosate) was performed. The results were compared with untreated control. The wines of the 2018 harvest showed a higher total content of volatile compounds compared to the 2019 harvest. Herbicide treatment had the effect of increasing the content of higher alcohols in the experimental wines. This was a possible effect of blocking competition for nutrients needful for the vine metabolism by weeds elimination. The wines of the 2018 harvest contain 9 higher alcohols, the main ones were 1-propanol, 2-methyl-1-butanol, 3-methyl-1-butanol and 4-methyl-2-pentanol. The wines from the next harvest showed a poorer species composition of higher alcohols - 5 representatives, with the main presence of 2-methyl-1-butanol and 3-methyl-1-butanol. The experimental variants for the wines of the 2018 harvest showed a higher total ester content compared to the control and the main esters were ethyl acetate and ethyl decanoate. In the next harvest this tendency was absent, and the main representative of the esters was propyl acetate. The aldehyde fraction was represented by acetaldehyde. A low total terpene content in the wines was found, which was normal, as Cabernet Sauvignon is a non-muscat variety. Methyl alcohol concentrations were defined. They were many times lower than the maximum allowable, which characterized wines as toxicologically harmless. The study showed that the treatment with the herbicides Guild, Lumax 538 SC and Pledge 50 WP of experimental plantations of Cabernet Sauvignon led to improved synthesis of higher alcohols and esters in wines, which reflected in improving of their volatile and aromatic quality.

The behavioral sensitivity of mice to acetate esters

Measures of behavioral sensitivity provide an important guide for choosing the stimulus concentrations used in functional experiments. This information is particularly valuable in the olfactory system as the neural representation of an odorant changes with concentration. This study focuses on acetate esters because they are commonly used to survey neural activity in a variety of olfactory regions, probe the behavioral limits of odor discrimination, and assess odor structure–activity relationships in mice. Despite their frequent use, the relative sensitivity of these odorants in mice is not available. Thus, we assayed the ability of C57BL/6J mice to detect seven different acetates (propyl acetate, butyl acetate, pentyl acetate, hexyl acetate, octyl acetate, isobutyl acetate, and isoamyl acetate) using a head-fixed Go/No-Go operant conditioning assay combined with highly reproducible stimulus delivery. To aid in the accessibility and applicability of our data, we have estimated the vapor-phase concentrations of these odorants in five different solvents using a photoionization detector-based approach. The resulting liquid-/vapor-phase equilibrium equations successfully corrected for behavioral sensitivity differences observed in animals tested with the same odorant in different solvents. We found that mice are most sensitive to isobutyl acetate and least sensitive to propyl acetate. These updated measures of sensitivity will hopefully guide experimenters in choosing appropriate stimulus concentrations for experiments using these odorants.

Determination of Abraham model solute descriptors for hippuric acid from measured molar solubilities in several organic mono-solvents of varying polarity and hydrogen-bonding ability

ABSTRACT Mole fraction solubilities are reported for hippuric acid dissolved in 2-propanol, 2-methyl-1-propanol, 1-pentanol, cyclopentanol, 2-ethoxyethanol, methyl acetate, ethyl acetate, propyl acetate, isopropyl acetate, butyl acetate, pentyl acetate and methyl butyrate at 298.15 K. Results of experimental measurements, combined with published solubility data taken from the published chemical literature, were used to calculate the Abraham model solute descriptors for the monomeric molecular form of hippuric acid. The derived solute descriptors back-calculate the observed molar solubility data to within a standard error of 0.10 log units.

Volumetric, acoustic and IR spectroscopic properties of binary mixtures (1,2-diaminopropane + methyl-, ethyl-, n-propyl- and n-butyl acetates: A combined experimental and first-principles investigation

Studies of density and speed of sound are commonly used tools to ascertain the properties of pure liquids and the nature of interactions between component molecules of a binary mixture. Herein, the density (ρ) and speed of sound (u) of methyl acetate (MAc), ethyl acetate (EAc), n-propyl acetate (n-PAc) and n-butyl acetate (n-BAc) and their binary mixture with 1,2-diaminopropane (1,2-DAP) were measured over the entire composition range at atmospheric pressure 0.1 MPa and in the temperature range of 298.15–318.15 K with a step of 5 K. Different excess thermo-physical properties including the excess molar volume (VmE), excess ultrasonic speed (uE), excess free volume (VfE), excess intermolecular free length (LfE), and excess molar isentropic compressibility were evaluated from the measured results of ρ and u. The evaluated properties were also analysed in terms of the extent and nature of interactions. The Redlich-Kister polynomial equation was used to correlate the various excess properties to the composition. Further, the u data is analysed by various correlations, Schaaff’s collision factor theory (CFT) and Jacobson’s free length theory (JFLT). The effect of chain length, branching and temperature on the intermolecular interactions and the magnitude of the measured properties have also been systematically analysed. Furthermore, excess molar properties and the intermolecular interactions have been interpreted in the light of Fourier transform infrared spectroscopy (FT-IR) and density functional theory (DFT) studies. Hydrogen-bonded interactions are predicted to play important role in stabilising the binary mixtures.

Investigation on thermodynamic properties and spectroscopic studies of binary mixtures of 1, 2, 4-trichlorobenzene with alkyl acetates (C1-C5) at T = (303.15 to 318.15) K

The measurements of experimental densities ( ρ ) and speeds of sound ( u ) of binary mixtures of 1, 2, 4-trichlorobenzene (1,2,4-TCB) with alkyl acetates namely methyl acetate, ethyl acetate, propyl acetate, butyl acetate and pentyl acetate have been done over the entire composition range at four different temperatures ( T = 303.15, 308.15, 313.15 and 318.15 K) and pressure ( P = 0.1 MPa). The intermolecular interactions present in these mixtures were briefly explained through the calculated excess molar volume ( V m E ), excess isentropic compressibility ( κ S E ) and excess speeds of sound ( u E ). The ideal and excess parameters were correlated with Redlich-Kister polynomial equation. Different theoretical models such as PFP theory, CFT and FLT have been used to analyze the experimental results of V m E and u values respectively. The strength of intermolecular interactions between the component molecules have been confirmed using the excess properties and the results were further analyzed with FT-IR spectroscopic technique.

Solid-liquid equilibrium of 2,3-dimethoxybenzoic acid in fifteen mono-solvents: Determination, Correlation, Hansen solubility parameter, molecular dynamic simulation and thermodynamic analysis

This current research work was devoted to investigating solid–liquid equilibrium solubility, Hansen solubility parameters (HSPs), intermolecular interaction and thermodynamic analysis of 2,3-dimethoxybenzoic acid (o-veratric acid) in fifteen mono-solvent systems namely “water, methanol (MtOH), ethanol (EtOH), n-propanol (NPOH), isopropanol (IPOH), n-butanol (NBOH), methyl acetate (MtAC), ethyl acetate (EtAC), n-propyl acetate (NPAC), isopropyl acetate (IPAC), n-butyl acetate (NBAC), ethylene glycol monomethyl ether (EGME), ethylene glycol monoethyl ether (EGEE), 1,4-dioxane (Diox) and acetonitrile (MeCN)” by experimentation, mathematical relationships and molecular simulations. The measurement of solubility of o-veratric acid was conducted by laser monitoring method under 0.1 MPa, and corresponding measuring temperature range was 278.15 K to 323.15 K in most mono-solvents except Diox (288.15 K ∼ 323.15 K). The maximum of o-veratric acid solubility expressed in mole faction was found in Diox at 323.15 K (0.1717), while the minimum of solubility value was observed as 4.791e-3 in water at 278.15 K. At 298.15 K, o-veratric acid solubility in selected solvents had a general order of: Diox ≈ EGME > EGEE > MtOH > MtAC > EtOH > EtAC > MeCN > NPOH > NPAC > IPOH > NBOH > IPAC ≈ NBAC > water. Molecular similarities between o-veratric acid and fifteen selected mono-solvents were deeply considered with the help of HSPs concept. Moreover, solubility values were computationally expressed by Margules, Wilson, NRTL, NRTL-SAC and UNIQUAC model with the average relative deviation (ARD) of no higher than 5.365%. For explaining solubility behavior of o-veratric acid, molecular electrostatic potential surface, Hirschfeld surface as well as solvation free energy of o-veratric acid were analyzed by molecular simulation. Furthermore, the dissolution thermodynamic properties (ΔdisG, ΔdisH and ΔdisS) of o-veratric acid dissolving in selected solvents and mixing thermodynamic properties (ΔmixG, ΔmixH and ΔmixS) of o-veratric acid with fifteen solvents were estimated by UNIQUAC model, the results of which indicated the dissolution processes were spontaneous, endothermic as well as entropy increasing and mixing processes were spontaneous as well as entropy-increasing.

Liquid-liquid equilibrium measurement and thermodynamic modeling for ternary system of Water + Cyclohexanone + Solvents (n-Propyl acetate, methyl acetate) at different temperatures

To separate cyclohexanone and water in the azeotropic system using liquid–liquid extraction, the liquid–liquid equilibrium (LLE) data of water + cyclohexanone + solvents (n-propyl acetate, methyl acetate) were obtained at 298.2, 303.2, and 313.2 K under 101.3 kPa. The extractant ability of the extractant was evaluated by distribution coefficient (D) and selectivity factor (S). The NRTL and UNIQUAC were used to correlate the experimental data with relative root mean square deviation (RMSD) are all less than 0.77%. It shows that the two models are suitable for the system. Finally, a graphical user interface (GUI) was used to verify that the regression parameters have a good consistency.

Study on the influences of ultrasound on the flavor profile of unsmoked bacon and its underlying metabolic mechanism by using HS-GC-IMS

For exploring the influence of ultrasound on the flavor characteristic of unsmoked bacon, sensory evaluation combined with E-nose and headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) were performed to analyze the overall flavor profile and specific volatile flavor compounds (VFCs), respectively. Furthermore, the metabolic pathway of VFCs affected by ultrasound was also investigated. Results demonstrated that ultrasound improved the flavor characteristic of unsmoked bacon by raising the levels of nonanal, heptanal, octanal, 3-methylbutanal n-hexyl acetate and n-propyl acetate. Enzymatic oxidation was found to be an important metabolic pathway responsible for the development of flavor characteristic after ultrasound treatment, which could be attributed to the increased activities of lipases and lipoxygenase and the higher concentration of polyunsaturated free fatty acids. The increased level of lipid oxidation after ultrasound treatment was also confirmed by thiobarbituric acid reactive substances. Consequently, ultrasound is an effective approach to enhance the flavor characteristic of unsmoked bacon.

Comparison of the Fruit Volatile Profiles of Five Muscadine Grape Cultivars (Vitis rotundifolia Michx.) Using HS-SPME-GC/MS Combined With Multivariate Statistical Analysis.

Fruit aromas are composed of a complex mixture of volatile organic compounds, which are essential attributes associated with the overall flavor and consumer preference. Muscadine grape (MG; Vitis rotundifolia Michx.) is an aroma-dense fruit crop. However, there is very scarce information on its volatile profiles. In this study, the volatile constituents of five newly introduced MG cultivars, including Alachua, Carlos, Fry, Granny Val, and Noble, were profiled using headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC/MS) combined with multivariate statistical analysis. A total of 44 compounds, including esters, aldehydes, alcohols, fatty acids, terpenes, ketones, and furan, were identified and relatively quantified. Principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) evidently discriminated against the five MG cultivars based on their volatile profiles. The specific volatiles that contributed the most to this discrimination were highlighted. Geraniol and cinnamyl alcohol were demonstrated to be essential for characterizing the Alachua MG cultivar, whereas ethyl trans-2-butenoate and propyl acetate were shown to be important compounds to characterize the Noble MG cultivar. The results further showed that 2-Ethyl-1-hexanol, (Z)-3-hexenal, and (E)-2-hexenol were closely related to Carlos, Fry, and Granny Val cultivars, respectively. This investigation is the first in-depth exploration of the volatile profiles of the aroma-dense muscadine grape, which is essential for future genetic or biotechnological improvements to attain a cultivar with the desired flavor.