Synthetic fragrances

Synthetic fragrances is also known as artificially synthetic fragrance. It is a mimic of the natural flavors manufactured using science and technology by human beings. It refers to a “single-one” spice manufactured or prepared through chemical or biological pathways using different raw materials. Currently, there are already 5000 kinds of Synthetic fragrances in the world with 400 kinds of them belonging to commonly used products. Synthetic fragrances industry has become an important part of fine organic chemical industry.

Synthetic fragrances, according to their chemical structure or functional groups, can be divided into hydrocarbons, alcohols, acids, esters, lactones, aldehydes, ketones, phenols, ethers, acetals, ketals, shiff base, nitrile, macrocyclic, polycyclic, heterocyclic (pyrazine, pyridine, furan furosemide thiazole, etc.), sulfides, halides and so on.

The GB2760 in China allows the application of more than 257 kinds of Synthetic fragrances in the food flavors directories. The commonly used Synthetic fragrances in the beverage can be divided into esters and non-esters, two kinds.
(1) Synthetic esters spices: the esters of organic acids and alcohols, due to undergoing alkali saponification, generally have poor alkali resistance except the third class terpene alcohol esters (terpinyl acetate, linalyl acetate). The esters spices are generally prepared through the esterification of organic acids and alcohols. Among the esters spices listed in Table 1-4-21, acetate esters occupy the majority, up to 12 species. From the component of the alcohol, the number of alcohol ester is 11; the number of iso-amyl alcohol esters is 7; the number of methyl ester is 5. These kinds of esters are all difficultly soluble or almost insoluble in water, but being easily soluble in alcohol and ether. Owing to the highly volatility, it must be sealed and stored in a cool dark place. These esters spices are rarely used alone and are generally blended with a variety of other spices for application.
(2) Non-ester spices are mainly spices including alcohols, aldehydes, volatile acids, and ketones that exclude ester spices, wherein the aldehyde, the phenol and structure having unstable double bond occupies the majority of them. They can be easily oxidized in the air and should be given full attention.
In particular, the aromatic aldehydes that can have cannizarro reaction such as anisaldehyde, vanillin, ethyl vanillin, benzaldehyde, pepper aldehyde and aldehyde having double bond nearly to the aldehyde group (α- amyl cinnamaldehyde, cinnamic aldehyde and citral) are non-unstable esters spices. They are rarely used alone except vanillin and menthol with being blended with other spices for application in most cases.

Artificial spices are flavor components that have not been identified in the natural product (no matter whether or not processed) for human consumption. Such spices have fewer varieties with all of them manufactured by chemical methods, and their chemical structures have not yet been found in nature.
Based on this, the safety of these spices has drawn a lot of attention. In China, those spices included in the GB/T14156-93 "edible spices and coding" all have undergone certain toxicological evaluation, and are considered harmless to humans (in certain doses). Among them, except individual spices undergoing adequate toxicological evaluation, they are all currently classified as temporary license. It should be noted that, with the continuous development of science and technology and human awareness, some varieties originally belonging to artificial spice varieties have also found in some natural foods, thus being classified as nature-identical flavors. For example, the artificial spice, allyl caproate, temporarily used in China is now re-classified as nature-identical spice internationally.

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Structure Chemical Name CAS MF
2-Ethylbutyric acid 2-Ethylbutyric acid 88-09-5 C6H12O2
2-Methyl-1-butanol 2-Methyl-1-butanol 137-32-6 C5H12O
Isobutyraldehyde Isobutyraldehyde 78-84-2 C4H8O
Ethyl levulinate Ethyl levulinate 539-88-8 C7H12O3
2-Methyl-2-thiazoline 2-Methyl-2-thiazoline 2346-00-1 C4H7NS
Piperidine Piperidine 110-89-4 C5H11N
5-Hydroxymethylfurfural 5-Hydroxymethylfurfural 67-47-0 C6H6O3
D(+)-Carvone D(+)-Carvone 2244-16-8 C10H14O
3-Methylthiophene 3-Methylthiophene 616-44-4 C5H6S
4-Hydroxy-3-methoxystyrene 4-Hydroxy-3-methoxystyrene 7786-61-0 C9H10O2
Quinaldine Quinaldine 91-63-4 C10H9N
ETHYL (METHYLTHIO)ACETATE ETHYL (METHYLTHIO)ACETATE 4455-13-4 C5H10O2S
Methyl salicylate Methyl salicylate 119-36-8 C8H8O3
2,4-Dimethyl-3-ethyl-1H-pyrrole 2,4-Dimethyl-3-ethyl-1H-pyrrole 517-22-6 C8H13N
4-Heptanolide 4-Heptanolide 105-21-5 C7H12O2
4-Methyl-5-thiazolylethyl acetate 4-Methyl-5-thiazolylethyl acetate 656-53-1 C8H11NO2S
Allyl isothiocyanate Allyl isothiocyanate 57-06-7 C4H5NS
1-UNDECANOL 1-UNDECANOL 112-42-5 C11H24O
Dibutyl sebacate Dibutyl sebacate 109-43-3 C18H34O4
2-ETHYLBUTYRALDEHYDE 2-ETHYLBUTYRALDEHYDE 97-96-1 C6H12O
2,5-Dimethylthiophene 2,5-Dimethylthiophene 638-02-8 C6H8S
2,5-Dihydroxy-1,4-dithiane 2,5-Dihydroxy-1,4-dithiane 40018-26-6 C4H8O2S2
3-Hexanol 3-Hexanol 623-37-0 C6H14O
2-Isobutylthiazole 2-Isobutylthiazole 18640-74-9 C7H11NS
1,1-Dimethoxyethane 1,1-Dimethoxyethane 534-15-6 C4H10O2
(E,E)-Farnesol (E,E)-Farnesol 106-28-5 C15H26O
Tetrahydrothiophen-3-one Tetrahydrothiophen-3-one 1003-04-9 C4H6OS
2-Mercaptothiazole 2-Mercaptothiazole 82358-09-6 C3H3NS2
Pyridine Pyridine 110-86-1 C5H5N
3-Acetylpyridine 3-Acetylpyridine 350-03-8 C7H7NO
2-Methylbutyraldehyde 2-Methylbutyraldehyde 96-17-3 C5H10O
2-Ethoxynaphthalene 2-Ethoxynaphthalene 93-18-5 C12H12O
trans-2-Decenal trans-2-Decenal 3913-81-3 C10H18O
4-Methyl-5-vinylthiazole 4-Methyl-5-vinylthiazole 1759-28-0 C6H7NS
2-Pentanone 2-Pentanone 107-87-9 C5H10O
Dimethyl succinate Dimethyl succinate 106-65-0 C6H10O4
2,6-Dimethyl-4-heptanone 2,6-Dimethyl-4-heptanone 108-83-8 C9H18O
Isobutyl acetoacetate Isobutyl acetoacetate 7779-75-1 C8H14O3
Isopropenyl acetate Isopropenyl acetate 108-22-5 C5H8O2
4-Heptanone 4-Heptanone 123-19-3 C7H14O
4-Ethyl-2-methoxyphenol 4-Ethyl-2-methoxyphenol 2785-89-9 C9H12O2
4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 28664-35-9 C6H8O3
L-Menthol L-Menthol 2216-51-5 C10H20O
Isobutyric acid Isobutyric acid 79-31-2 C4H8O2
Benzyl cinnamate Benzyl cinnamate 103-41-3 C16H14O2
2-Methyl-2-pentenoic acid 2-Methyl-2-pentenoic acid 3142-72-1 C6H10O2
Tributyrin Tributyrin 60-01-5 C15H26O6
2,6-Dimethyl-5-heptenal 2,6-Dimethyl-5-heptenal 106-72-9 C9H16O
2,6,6-Trimethyl-2-cyclohexene-1,4-dione 2,6,6-Trimethyl-2-cyclohexene-1,4-dione 1125-21-9 C9H12O2
trans-2-Hexen-1-ol trans-2-Hexen-1-ol 928-95-0 C6H12O
Palmitic acid ethyl ester Palmitic acid ethyl ester 628-97-7 C18H36O2
trans,trans-2,4-Heptadienal trans,trans-2,4-Heptadienal 4313-03-5 C7H10O
2,5-Dimethyl-3(2H)-furanone 2,5-Dimethyl-3(2H)-furanone 14400-67-0 C6H8O2
Octyl 4-methoxycinnamate Octyl 4-methoxycinnamate 5466-77-3 C18H26O3
5,6,7,8-Tetrahydroquinoxaline 5,6,7,8-Tetrahydroquinoxaline 34413-35-9 C8H10N2
1-Penten-3-ol 1-Penten-3-ol 616-25-1 C5H10O
1-Tetradecanol 1-Tetradecanol 112-72-1 C14H30O
2-Tridecanone 2-Tridecanone 593-08-8 C13H26O
2-Methoxy-4-methylphenol 2-Methoxy-4-methylphenol 93-51-6 C8H10O2
2,6-Diacetylpyridine 2,6-Diacetylpyridine 1129-30-2 C9H9NO2
6-Methylquinoline 6-Methylquinoline 91-62-3 C10H9N
Pyruvic acid Pyruvic acid 127-17-3 C3H4O3
L-Menthyl acetate L-Menthyl acetate 2623-23-6 C12H22O2
Ethyl 3-phenylpropionate Ethyl 3-phenylpropionate 2021-28-5 C11H14O2
1-Pentanol 1-Pentanol 71-41-0 C5H12O
2-Pentylpyridine 2-Pentylpyridine 2294-76-0 C10H15N
3-Phenylpropionic acid 3-Phenylpropionic acid 501-52-0 C9H10O2
Butyl formate Butyl formate 592-84-7 C5H10O2
1-Bromopentane 1-Bromopentane 110-53-2 C5H11Br
3',5'-Dimethoxyacetophenone 3',5'-Dimethoxyacetophenone 39151-19-4 C10H12O3
gamma-Octanoic lactone gamma-Octanoic lactone 104-50-7 C8H14O2
Pyrrolidine Pyrrolidine 123-75-1 C4H9N
2,4-Dimethylthiazole 2,4-Dimethylthiazole 541-58-2 C5H7NS
Ethyl L(-)-lactate Ethyl L(-)-lactate 687-47-8 C5H10O3
2-Heptanol 2-Heptanol 543-49-7 C7H16O
ETHYL STEARATE ETHYL STEARATE 111-61-5 C20H40O2
2',5'-Dimethoxyacetophenone 2',5'-Dimethoxyacetophenone 1201-38-3 C10H12O3
Undecanolactone Undecanolactone 710-04-3 C11H20O2
1-Octen-3-ol 1-Octen-3-ol 3391-86-4 C8H16O
Hexanal Hexanal 66-25-1 C6H12O
METHYL MYRISTATE METHYL MYRISTATE 124-10-7 C15H30O2
2-Acetylpyridine 2-Acetylpyridine 1122-62-9 C7H7NO
2-Octanone 2-Octanone 111-13-7 C8H16O
2-Heptanone 2-Heptanone 110-43-0 C7H14O
β-Lonone β-Lonone 79-77-6 C13H20O
Butyl hexanoate Butyl hexanoate 626-82-4 C10H20O2
2,6-DIMETHYLTHIOPHENOL 2,6-DIMETHYLTHIOPHENOL 118-72-9 C8H10S
2-Methyltetrahydrofuran-3-one 2-Methyltetrahydrofuran-3-one 3188-00-9 C5H8O2
2-Pentyl-3-methyl-2-cyclopenten-1-one 2-Pentyl-3-methyl-2-cyclopenten-1-one 1128-08-1 C11H18O
2,3-Pentanedione 2,3-Pentanedione 600-14-6 C5H8O2
4-Methyloctanoic acid 4-Methyloctanoic acid 54947-74-9 C9H18O2
delta-Dodecalactone delta-Dodecalactone 713-95-1 C12H22O2
3,4-Hexanedione 3,4-Hexanedione 4437-51-8 C6H10O2
3-Hexanone 3-Hexanone 589-38-8 C6H12O
Ethyl crotonate Ethyl crotonate 623-70-1 C6H10O2
Dihydro-2-methyl-3(2H)-thiophenone Dihydro-2-methyl-3(2H)-thiophenone 13679-85-1 C5H8OS
2',4'-Dimethylacetophenone 2',4'-Dimethylacetophenone 89-74-7 C10H12O
gamma-Nonanolactone gamma-Nonanolactone 104-61-0 C9H16O2
(E,E)-2,4-Hexadienal (E,E)-2,4-Hexadienal 142-83-6 C6H8O
2-Acetylthiophene 2-Acetylthiophene 88-15-3 C6H6OS
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