TABLE 1.
Volatile | Formula | RI Exp | Ri Lita | CAS registry no. | Volatile studiesb,c,d |
Acids | |||||
*Acetic acid | C2H4O2 | 1,453 | 1,449 | 64-19-7 | |
Decanoic acid | C10H20O2 | 2,281 | 2,276 | 334-48-5 | |
Hexanoic acid | C6H12O2 | 1,876 | 1,866e | 142-62-1 | E |
Hexanoic acid, 2-ethyl- | C8H16O2 | 1,973 | 1,960 | 149-57-5 | C |
Nonanoic acid | C9H18O2 | 2,166 | 2,171 | 112-05-0 | |
Octanoic acid | C8H16O2 | 2,063 | 2,060 | 124-07-2 | C |
Alcohols | |||||
Benzyl alcohol | C7H8O | 1,899 | 1,890e | 100-51-6 | G |
Ethanol | C2H6O | 985 | 932 | 64-17-5 | G,J |
Hexanol | C6H14O | 1,366 | 1,355 | 111-27-3 | A,B,C,D,I,J |
4-methyl-5-decanol | C11H24O | 1,656 | – | 213547-15-0 | |
(E,E)-3,5-octadien-2-ol | C8H14O | 1,405 | – | 69668-82-2 | |
Octanol | C8H18O | 1,577 | 1,557 | 111-87-5 | A,B,C,D,E,H,I,J |
1-octen-3-ol | C8H16O | 1,455 | 1,450 | 3391-86-4 | A,B,C,D,E,I |
2-octen-1-ol, (E)- | C8H16O | 1,644 | 1,626e | 18409-17-1 | D |
Phenylethyl alcohol | C8H10O | 1,930 | 1,906 | 60-12-8 | A,C,D,E,I |
Aldehydes | |||||
Acetaldehyde | C2H4O | 720 | 702 | 75-07-0 | G |
*Benzaldehyde | C7H6O | 1,511 | 1,520 | 100-52-7 | A,C |
Butanal, 2-methyl- | C5H10O | 916 | 914 | 96-17-3 | E,J |
Butanal, 3-methyl- | C5H10O | 919 | 918 | 590-86-3 | |
2-Butenal, (E)- | C4H6O | 1,030 | 1,039 | 123-73-9 | J |
2-Butenal, 2-ethenyl- | C6H8O | 1,270 | 1,303 | 20521-42-0 | |
2-Butenal, 2-methyl- | C5H8O | 1,077 | 1,095 | 1115-11-3 | |
2-Butenal, 2-ethyl- | C6H10O | 1,143 | 1,145 | 19780-25-7 | |
β-cyclocitral | C10H16O | 1,619 | 1,611 | 432-25-7 | A,C,D,E,I |
*2-Furancarboxaldehyde, 5-methyl- | C6H6O2 | 1,569 | 1,570 | 620-02-0 | G |
*Furan-3-carboxaldehyde | C5H4O2 | 1,463 | 1,454 | 498-60-2 | |
1H-pyrrole-2-carboxaldehyde, 1-ethyl- | C7H9NO | 1,613 | 1,610 | 2167-14-8 | |
2,4-Heptadienal, (E,E)- | C7H10O | 1,490 | 1,495 | 4313-03-5 | B,C |
*Heptanal | C7H14O | 1,178 | 1,184 | 111-71-7 | B,C,E,H,J |
2-Heptenal | C7H12O | 1,323 | 1,323 | 2463-63-0 | B |
Hexanal | C6H12O | 1,084 | 1,083 | 66-25-1 | A,B,C,D,H,I,J |
(E)-2-Hexenal | C6H10O | 1,216 | 1,216 | 6728-26-3 | B,C |
5-Methyl-2-thiophene carboxaldehyde |
C6H6OS | 1,717 | 1,735e | 13679-70-4 | |
*Nonanal | C9H18O | 1,393 | 1,391 | 124-19-6 | A,B,D,H,I,J |
(E)-2-Nonenal | C9H16O | 1,506 | 1,537 | 18829-56-6 | B,C,D,E,G |
Octanal | C8H16O | 1,295 | 1,289 | 124-13-0 | A,B,C,D,G,H,J |
2-Octenal, (E)- | C8H14O | 1,426 | 1,429 | 2548-87-0 | B,C,D,I |
2-Phenyl-2-butenal | C10H10O | 1,937 | 1,929 | 4411-89-6 | |
Esters | |||||
Acetic acid, ethenyl ester | C4H6O2 | 902 | 890 | 108-05-4 | |
Acetic acid, butyl ester | C6H12O2 | 1,072 | 1,074 | 123-86-4 | G |
Butanoic acid, butyl ester | C8H16O2 | 1,219 | 1,220 | 109-21-7 | |
Decanoic acid, methyl ester | C11H22O2 | 1,613 | 1,593 | 110-42-9 | C,D |
Dodecanoic acid, methyl ester | C13H26O2 | 1,836 | 1,834e | 111-82-0 | D |
Ethyl acetate | C4H8O2 | 902 | 888 | 141-78-6 | A,D,E,G,I,J |
*Hexadecanoic acid, methyl ester | C17H34O2 | 2,212 | 2,208 | 112-39-0 | |
Hexadecanoic acid, ethyl ester | C18H36O2 | 2,255 | 2,251 | 628-97-7 | E,I |
Hexanoic acid, (Z)-2-pentenyl ester | C11H20O2 | 1,668 | – | 74298-89-8 | |
Nonanoic acid, methyl ester | C10H20O2 | 1,499 | 1,491 | 1731-84-6 | C |
Octadecanoic acid, ethyl ester | C20H40O2 | 2,451 | 2,451 | 111-61-5 | G |
*Octadecanoic acid, methyl ester | C19H38O2 | 2,419 | 2,418 | 112-61-8 | G |
8E,11E-Octadecadienoic acid, methyl ester | C19H34O2 | 2,477 | – | 56599-58-7 | F |
Octanoic acid, ethyl ester | C10H20O2 | 1,439 | 1,435 | 106-32-1 | C,D,E,I |
Pentadecanoic acid, methyl ester | C16H32O2 | 2,110 | 2,108 | 7132-64-1 | |
Tetradecanoic acid, methyl ester | C15H30O2 | 2,024 | 2,005 | 124-10-7 | D |
Ketones | |||||
*Acetoin | C4H8O2 | 1,290 | 1,284 | 513-86-0 | |
Acetophenone | C8H8O | 1,650 | 1,647 | 98-86-2 | C,G |
Ethanone, 1-(1H-pyrrol-2-yl) | C6H7NO | 1,985 | 1,973 | 1072-83-9 | |
3-Heptanone, 5-methyl- | C8H16O | 1,256 | 1,265 | 541-85-5 | |
5-Hepten-2-one, 6-methyl- | C8H14O | 1,340 | 1,338 | 110-93-0 | A,B,C,D,I,J |
5-Hydroxy-4-octanone | C8H16O2 | 1,423 | 1,443 | 496-77-5 | |
β-ionone | C13H20O | 1,947 | 1,971 | 79-77-6 | A,B,C,D,E,I,J |
Pyrazines | |||||
Pyrazine, 3,5,-diethyl-2-methyl- | C9H14N2 | 1,516 | 1,496 | 18138-05-1 | |
Pyrazine, 2-ethyl-6-methyl- | C7H10N2 | 1,386 | 1,386 | 13925-03-6 | |
Pyrazine, tetramethyl- | C8H12N2 | 1,477 | 1,469 | 1124-11-4 | |
*Pyrazine, trimethyl- | C7H10N2 | 1,405 | 1,402 | 14667-55-1 | |
Benzenoids | |||||
Ethylbenzene | C8H10 | 1,130 | 1,129 | 100-41-4 | |
p-cymene | C10H14 | 1,261 | 1,272 | 99-87-6 | J |
Styrene | C8H8 | 1,254 | 1,261 | 100-42-5 | D,F |
Toluene | C7H8 | 1,030 | 1,042 | 108-88-3 | |
m-xylene | C8H10 | 1,139 | 1,143 | 108-38-3 | |
o-xylene | C8H10 | 1,171 | 1,186 | 95-47-6 | |
p-xylene | C8H10 | 1,121 | 1,138 | 106-42-3 | F |
Other | |||||
2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a- trimethyl-, (R)- | C11H16O2 | 2,290 | 2,325e | 17092-92-1 | C |
γ-butyrolactone | C4H6O2 | 1,622 | 1,632 | 96-48-0 | A |
Furan, 2-pentyl- | C9H14O | 1,229 | 1,231 | 3777-69-3 | C,D |
1H-pyrazole, 4,5-dihydro-5,5-dimethyl-4-isopropylidene- | C8H14N2 | 1,396 | – | 106251-09-6 | |
2-Methoxy-4-vinylphenol | C9H10O2 | 2,167 | 2,188 | 7786-61-0 | |
Phenol, 4-ethyl-2-methoxy | C9H12O2 | 2,167 | 2,188 | 2785-89-9 | A,E,I |
2-Pyrrolidinone | C4H7NO | 2,029 | 2,017 | 616-45-5 | |
Vanillin | C8H8O3 | 2,531 | 2,540e | 121-33-5 | F |
Stereoisomers are indicated where they could be resolved. For compounds with multiple possible stereoisomers, reference to a compound in a prior study may or may not refer to the same stereoisomer detected in the present work.
*Major volatile in the present study.
aRI lit retention index coming from the NIST 14 database.
bCompound previously reported in date fruit by A = El Arem et al. (2011), B = Reynes et al. (1996), C = Khalil et al. (2017), D = Mezroua et al. (2017), E = Hatem et al. (2018), F = Arif and Lombarkia (2018), G = Narain (2007), H = Jaddou et al. (1984), I = El Arem et al. (2012), J = Harrak et al. (2005).
cNo overlapping compounds were found with Siddeeg et al. (2019) and Aldulaimi et al. (2020).
dAcetic acid has previously been reported in non-volatile studies and is not considered novel to this study.
eRI lit retention index coming from Pubchem.