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
4-Ethyl-2-methoxyphenol 4-Ethyl-2-methoxyphenol 2785-89-9 C9H12O2
Tributyrin Tributyrin 60-01-5 C15H26O6
trans-2-Decenal trans-2-Decenal 3913-81-3 C10H18O
β-Lonone β-Lonone 79-77-6 C13H20O
2-Heptanone 2-Heptanone 110-43-0 C7H14O
4-Methyl-5-vinylthiazole 4-Methyl-5-vinylthiazole 1759-28-0 C6H7NS
2-Ethoxynaphthalene 2-Ethoxynaphthalene 93-18-5 C12H12O
2',5'-Dimethoxyacetophenone 2',5'-Dimethoxyacetophenone 1201-38-3 C10H12O3
2-Ethylbutyric acid 2-Ethylbutyric acid 88-09-5 C6H12O2
2-Nonanone 2-Nonanone 821-55-6 C9H18O
trans-2-Hexen-1-ol trans-2-Hexen-1-ol 928-95-0 C6H12O
2-Acetylpyridine 2-Acetylpyridine 1122-62-9 C7H7NO
2,6-DIMETHYLTHIOPHENOL 2,6-DIMETHYLTHIOPHENOL 118-72-9 C8H10S
3-Hexanone 3-Hexanone 589-38-8 C6H12O
2-Tridecanone 2-Tridecanone 593-08-8 C13H26O
3-Hexanol 3-Hexanol 623-37-0 C6H14O
2,4-Dimethylthiazole 2,4-Dimethylthiazole 541-58-2 C5H7NS
2-Methyl-2-thiazoline 2-Methyl-2-thiazoline 2346-00-1 C4H7NS
2-Heptanol 2-Heptanol 543-49-7 C7H16O
delta-Dodecalactone delta-Dodecalactone 713-95-1 C12H22O2
2-Acetylthiophene 2-Acetylthiophene 88-15-3 C6H6OS
5-Hydroxymethylfurfural 5-Hydroxymethylfurfural 67-47-0 C6H6O3
Ethyl benzoylacetate Ethyl benzoylacetate 94-02-0 C11H12O3
2,5-Dimethylthiophene 2,5-Dimethylthiophene 638-02-8 C6H8S
4-Hexanolide 4-Hexanolide 695-06-7 C6H10O2
2,6,6-Trimethyl-2-cyclohexene-1,4-dione 2,6,6-Trimethyl-2-cyclohexene-1,4-dione 1125-21-9 C9H12O2
2,5-Dimethyl-3(2H)-furanone 2,5-Dimethyl-3(2H)-furanone 14400-67-0 C6H8O2
Isobutyraldehyde Isobutyraldehyde 78-84-2 C4H8O
4,5-Dimethyl-2-isobutyl-3-thiazoline 4,5-Dimethyl-2-isobutyl-3-thiazoline 65894-83-9 C9H17NS
1-Bromopentane 1-Bromopentane 110-53-2 C5H11Br
Dihydro-2-methyl-3(2H)-thiophenone Dihydro-2-methyl-3(2H)-thiophenone 13679-85-1 C5H8OS
1-Penten-3-ol 1-Penten-3-ol 616-25-1 C5H10O
Butyl formate Butyl formate 592-84-7 C5H10O2
METHYL MYRISTATE METHYL MYRISTATE 124-10-7 C15H30O2
2-Methylbutyraldehyde 2-Methylbutyraldehyde 96-17-3 C5H10O
2-Pentyl-3-methyl-2-cyclopenten-1-one 2-Pentyl-3-methyl-2-cyclopenten-1-one 1128-08-1 C11H18O
Ethyl levulinate Ethyl levulinate 539-88-8 C7H12O3
Octyl 4-methoxycinnamate Octyl 4-methoxycinnamate 5466-77-3 C18H26O3
1-Pentanol 1-Pentanol 71-41-0 C5H12O
3,4-Hexanedione 3,4-Hexanedione 4437-51-8 C6H10O2
gamma-Nonanolactone gamma-Nonanolactone 104-61-0 C9H16O2
Isobutyric acid Isobutyric acid 79-31-2 C4H8O2
1-UNDECANOL 1-UNDECANOL 112-42-5 C11H24O
2-Octanone 2-Octanone 111-13-7 C8H16O
2,6-Dimethyl-4-heptanone 2,6-Dimethyl-4-heptanone 108-83-8 C9H18O
2,5-Dihydroxy-1,4-dithiane 2,5-Dihydroxy-1,4-dithiane 40018-26-6 C4H8O2S2
5,6,7,8-Tetrahydroquinoxaline 5,6,7,8-Tetrahydroquinoxaline 34413-35-9 C8H10N2
4-Methyl-5-thiazolylethyl acetate 4-Methyl-5-thiazolylethyl acetate 656-53-1 C8H11NO2S
3-Acetylpyridine 3-Acetylpyridine 350-03-8 C7H7NO
Ethyl 3-phenylpropionate Ethyl 3-phenylpropionate 2021-28-5 C11H14O2
2,3-Pentanedione 2,3-Pentanedione 600-14-6 C5H8O2
2',4'-Dimethylacetophenone 2',4'-Dimethylacetophenone 89-74-7 C10H12O
2-Pentanone 2-Pentanone 107-87-9 C5H10O
Piperidine Piperidine 110-89-4 C5H11N
Quinaldine Quinaldine 91-63-4 C10H9N
γ-Valerolactone γ-Valerolactone 108-29-2 C5H8O2
4-Hydroxy-3-methoxystyrene 4-Hydroxy-3-methoxystyrene 7786-61-0 C9H10O2
2-Methyl-2-pentenoic acid 2-Methyl-2-pentenoic acid 3142-72-1 C6H10O2
L-Menthol L-Menthol 2216-51-5 C10H20O
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate 2436-79-5 C12H17NO4
4-Heptanolide 4-Heptanolide 105-21-5 C7H12O2
3-Methylthiophene 3-Methylthiophene 616-44-4 C5H6S
4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 28664-35-9 C6H8O3
Ethyl L(-)-lactate Ethyl L(-)-lactate 687-47-8 C5H10O3
2-Methyl-1-butanol 2-Methyl-1-butanol 137-32-6 C5H12O
2-ETHYLBUTYRALDEHYDE 2-ETHYLBUTYRALDEHYDE 97-96-1 C6H12O
2,6-Diacetylpyridine 2,6-Diacetylpyridine 1129-30-2 C9H9NO2
2-Mercaptothiazole 2-Mercaptothiazole 82358-09-6 C3H3NS2
2,6-Dimethyl-5-heptenal 2,6-Dimethyl-5-heptenal 106-72-9 C9H16O
6-Methylquinoline 6-Methylquinoline 91-62-3 C10H9N
Ethyl crotonate Ethyl crotonate 623-70-1 C6H10O2
D(+)-Carvone D(+)-Carvone 2244-16-8 C10H14O
ETHYL (METHYLTHIO)ACETATE ETHYL (METHYLTHIO)ACETATE 4455-13-4 C5H10O2S
1-Tetradecanol 1-Tetradecanol 112-72-1 C14H30O
gamma-Octanoic lactone gamma-Octanoic lactone 104-50-7 C8H14O2
(E,E)-2,4-Hexadienal (E,E)-2,4-Hexadienal 142-83-6 C6H8O
Pyruvic acid Pyruvic acid 127-17-3 C3H4O3
Dimethyl succinate Dimethyl succinate 106-65-0 C6H10O4
1-Octen-3-ol 1-Octen-3-ol 3391-86-4 C8H16O
3-Phenylpropionic acid 3-Phenylpropionic acid 501-52-0 C9H10O2
2-Acetylfuran 2-Acetylfuran 1192-62-7 C6H6O2
1,1-Dimethoxyethane 1,1-Dimethoxyethane 534-15-6 C4H10O2
2,4-Dimethyl-3-ethyl-1H-pyrrole 2,4-Dimethyl-3-ethyl-1H-pyrrole 517-22-6 C8H13N
Benzyl cinnamate Benzyl cinnamate 103-41-3 C16H14O2
3-Acetyl-2,5-dimethylthiophene 3-Acetyl-2,5-dimethylthiophene 2530-10-1 C8H10OS
Pyridine Pyridine 110-86-1 C5H5N
2-Pentylpyridine 2-Pentylpyridine 2294-76-0 C10H15N
L-Menthyl acetate L-Menthyl acetate 2623-23-6 C12H22O2
4-Methyloctanoic acid 4-Methyloctanoic acid 54947-74-9 C9H18O2
Tetrahydrothiophen-3-one Tetrahydrothiophen-3-one 1003-04-9 C4H6OS
DL-3-Methylvaleric acid DL-3-Methylvaleric acid 105-43-1 C6H12O2
2-Isobutylthiazole 2-Isobutylthiazole 18640-74-9 C7H11NS
Butyl hexanoate Butyl hexanoate 626-82-4 C10H20O2
2-Methylthiophene 2-Methylthiophene 554-14-3 C5H6S
Allyl isothiocyanate Allyl isothiocyanate 57-06-7 C4H5NS
trans,trans-2,4-Heptadienal trans,trans-2,4-Heptadienal 4313-03-5 C7H10O
Isobutyl acetoacetate Isobutyl acetoacetate 7779-75-1 C8H14O3
(E,E)-Farnesol (E,E)-Farnesol 106-28-5 C15H26O
Dibutyl sebacate Dibutyl sebacate 109-43-3 C18H34O4
4-Heptanone 4-Heptanone 123-19-3 C7H14O
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