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-Acetylpyridine 2-Acetylpyridine 1122-62-9 C7H7NO
2,4-Dimethyl-3-ethyl-1H-pyrrole 2,4-Dimethyl-3-ethyl-1H-pyrrole 517-22-6 C8H13N
2-Methyl-2-thiazoline 2-Methyl-2-thiazoline 2346-00-1 C4H7NS
L-Menthyl acetate L-Menthyl acetate 2623-23-6 C12H22O2
2,6-Dimethyl-5-heptenal 2,6-Dimethyl-5-heptenal 106-72-9 C9H16O
1-Pentanol 1-Pentanol 71-41-0 C5H12O
2,6,6-Trimethyl-2-cyclohexene-1,4-dione 2,6,6-Trimethyl-2-cyclohexene-1,4-dione 1125-21-9 C9H12O2
4-Methyloctanoic acid 4-Methyloctanoic acid 54947-74-9 C9H18O2
Dihydro-2-methyl-3(2H)-thiophenone Dihydro-2-methyl-3(2H)-thiophenone 13679-85-1 C5H8OS
gamma-Nonanolactone gamma-Nonanolactone 104-61-0 C9H16O2
2,5-Dimethylthiophene 2,5-Dimethylthiophene 638-02-8 C6H8S
Quinaldine Quinaldine 91-63-4 C10H9N
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate 2436-79-5 C12H17NO4
Dimethyl succinate Dimethyl succinate 106-65-0 C6H10O4
Tributyrin Tributyrin 60-01-5 C15H26O6
(E,E)-2,4-Hexadienal (E,E)-2,4-Hexadienal 142-83-6 C6H8O
4-Methyl-5-vinylthiazole 4-Methyl-5-vinylthiazole 1759-28-0 C6H7NS
Pyrrolidine Pyrrolidine 123-75-1 C4H9N
Isobutyric acid Isobutyric acid 79-31-2 C4H8O2
Tetrahydrothiophen-3-one Tetrahydrothiophen-3-one 1003-04-9 C4H6OS
2-Isobutylthiazole 2-Isobutylthiazole 18640-74-9 C7H11NS
Ethyl levulinate Ethyl levulinate 539-88-8 C7H12O3
5-Hydroxymethylfurfural 5-Hydroxymethylfurfural 67-47-0 C6H6O3
4-Heptanolide 4-Heptanolide 105-21-5 C7H12O2
4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 28664-35-9 C6H8O3
3',5'-Dimethoxyacetophenone 3',5'-Dimethoxyacetophenone 39151-19-4 C10H12O3
2,4-Dimethylthiazole 2,4-Dimethylthiazole 541-58-2 C5H7NS
delta-Dodecalactone delta-Dodecalactone 713-95-1 C12H22O2
2,6-Diacetylpyridine 2,6-Diacetylpyridine 1129-30-2 C9H9NO2
3-Acetylpyridine 3-Acetylpyridine 350-03-8 C7H7NO
Pyruvic acid Pyruvic acid 127-17-3 C3H4O3
4-Ethyl-2-methoxyphenol 4-Ethyl-2-methoxyphenol 2785-89-9 C9H12O2
D(+)-Carvone D(+)-Carvone 2244-16-8 C10H14O
2-Ethylbutyric acid 2-Ethylbutyric acid 88-09-5 C6H12O2
trans-2-Hexen-1-ol trans-2-Hexen-1-ol 928-95-0 C6H12O
L-Menthol L-Menthol 2216-51-5 C10H20O
3-Acetyl-2,5-dimethylthiophene 3-Acetyl-2,5-dimethylthiophene 2530-10-1 C8H10OS
3-Hexanone 3-Hexanone 589-38-8 C6H12O
Butyl hexanoate Butyl hexanoate 626-82-4 C10H20O2
6-Methylquinoline 6-Methylquinoline 91-62-3 C10H9N
4-Methyl-5-thiazolylethyl acetate 4-Methyl-5-thiazolylethyl acetate 656-53-1 C8H11NO2S
3-Hexanol 3-Hexanol 623-37-0 C6H14O
2',5'-Dimethoxyacetophenone 2',5'-Dimethoxyacetophenone 1201-38-3 C10H12O3
2-Ethoxynaphthalene 2-Ethoxynaphthalene 93-18-5 C12H12O
2-Tridecanone 2-Tridecanone 593-08-8 C13H26O
Ethyl L(-)-lactate Ethyl L(-)-lactate 687-47-8 C5H10O3
1-Octen-3-ol 1-Octen-3-ol 3391-86-4 C8H16O
Palmitic acid ethyl ester Palmitic acid ethyl ester 628-97-7 C18H36O2
1-Penten-3-ol 1-Penten-3-ol 616-25-1 C5H10O
Benzyl cinnamate Benzyl cinnamate 103-41-3 C16H14O2
Piperidine Piperidine 110-89-4 C5H11N
trans-2-Decenal trans-2-Decenal 3913-81-3 C10H18O
β-Lonone β-Lonone 79-77-6 C13H20O
2-Mercaptothiazole 2-Mercaptothiazole 82358-09-6 C3H3NS2
2-Methyl-1-butanol 2-Methyl-1-butanol 137-32-6 C5H12O
1-UNDECANOL 1-UNDECANOL 112-42-5 C11H24O
2-Acetylthiophene 2-Acetylthiophene 88-15-3 C6H6OS
2-Heptanone 2-Heptanone 110-43-0 C7H14O
2,3-Pentanedione 2,3-Pentanedione 600-14-6 C5H8O2
5,6,7,8-Tetrahydroquinoxaline 5,6,7,8-Tetrahydroquinoxaline 34413-35-9 C8H10N2
γ-Valerolactone γ-Valerolactone 108-29-2 C5H8O2
2-Methoxy-4-methylphenol 2-Methoxy-4-methylphenol 93-51-6 C8H10O2
trans,trans-2,4-Heptadienal trans,trans-2,4-Heptadienal 4313-03-5 C7H10O
1-Tetradecanol 1-Tetradecanol 112-72-1 C14H30O
(E,E)-Farnesol (E,E)-Farnesol 106-28-5 C15H26O
Isobutyl acetoacetate Isobutyl acetoacetate 7779-75-1 C8H14O3
Ethyl crotonate Ethyl crotonate 623-70-1 C6H10O2
2-Methyltetrahydrofuran-3-one 2-Methyltetrahydrofuran-3-one 3188-00-9 C5H8O2
3,4-Hexanedione 3,4-Hexanedione 4437-51-8 C6H10O2
Undecanolactone Undecanolactone 710-04-3 C11H20O2
METHYL MYRISTATE METHYL MYRISTATE 124-10-7 C15H30O2
Butyl formate Butyl formate 592-84-7 C5H10O2
2-Pentylpyridine 2-Pentylpyridine 2294-76-0 C10H15N
ETHYL STEARATE ETHYL STEARATE 111-61-5 C20H40O2
2-Methyl-2-pentenoic acid 2-Methyl-2-pentenoic acid 3142-72-1 C6H10O2
Isobutyraldehyde Isobutyraldehyde 78-84-2 C4H8O
1-Bromopentane 1-Bromopentane 110-53-2 C5H11Br
Hexanal Hexanal 66-25-1 C6H12O
ETHYL (METHYLTHIO)ACETATE ETHYL (METHYLTHIO)ACETATE 4455-13-4 C5H10O2S
1,1-Dimethoxyethane 1,1-Dimethoxyethane 534-15-6 C4H10O2
Octyl 4-methoxycinnamate Octyl 4-methoxycinnamate 5466-77-3 C18H26O3
Methyl salicylate Methyl salicylate 119-36-8 C8H8O3
Isopropenyl acetate Isopropenyl acetate 108-22-5 C5H8O2
2-Heptanol 2-Heptanol 543-49-7 C7H16O
Pyridine Pyridine 110-86-1 C5H5N
4-Heptanone 4-Heptanone 123-19-3 C7H14O
4-Hydroxy-3-methoxystyrene 4-Hydroxy-3-methoxystyrene 7786-61-0 C9H10O2
3-Phenylpropionic acid 3-Phenylpropionic acid 501-52-0 C9H10O2
2-Methylbutyraldehyde 2-Methylbutyraldehyde 96-17-3 C5H10O
Ethyl 3-phenylpropionate Ethyl 3-phenylpropionate 2021-28-5 C11H14O2
Dibutyl sebacate Dibutyl sebacate 109-43-3 C18H34O4
2-Octanone 2-Octanone 111-13-7 C8H16O
2-ETHYLBUTYRALDEHYDE 2-ETHYLBUTYRALDEHYDE 97-96-1 C6H12O
2,5-Dimethyl-3(2H)-furanone 2,5-Dimethyl-3(2H)-furanone 14400-67-0 C6H8O2
2-Pentanone 2-Pentanone 107-87-9 C5H10O
gamma-Octanoic lactone gamma-Octanoic lactone 104-50-7 C8H14O2
2,6-Dimethyl-4-heptanone 2,6-Dimethyl-4-heptanone 108-83-8 C9H18O
2-Pentyl-3-methyl-2-cyclopenten-1-one 2-Pentyl-3-methyl-2-cyclopenten-1-one 1128-08-1 C11H18O
Allyl isothiocyanate Allyl isothiocyanate 57-06-7 C4H5NS
2,5-Dihydroxy-1,4-dithiane 2,5-Dihydroxy-1,4-dithiane 40018-26-6 C4H8O2S2
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