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
2,6-Dimethoxyphenol 2,6-Dimethoxyphenol 91-10-1 C8H10O3
4-Propylphenol 4-Propylphenol 645-56-7 C9H12O
2-Pyrazinylethanethiol 2-Pyrazinylethanethiol 35250-53-4 C6H8N2S
Citronellol Citronellol 106-22-9 C10H20O
2-Thienyl disulfide 2-Thienyl disulfide 6911-51-9 C8H6S4
Hydroxyacetone Hydroxyacetone 116-09-6 C3H6O2
2,3,6-Trimethylphenol 2,3,6-Trimethylphenol 2416-94-6 C9H12O
3-Heptanone 3-Heptanone 106-35-4 C7H14O
trans-2-Hexenoic acid trans-2-Hexenoic acid 13419-69-7 C6H10O2
2-Pentanol 2-Pentanol 6032-29-7 C5H12O
Cinnamaldehyde Cinnamaldehyde 104-55-2 C9H8O
alpha-Ionone alpha-Ionone 127-41-3 C13H20O
Benzaldehyde propylene glycol acetal Benzaldehyde propylene glycol acetal 2568-25-4 C10H12O2
Methyl valeraldehyde Methyl valeraldehyde 123-15-9 C6H12O
Dimethyl adipate Dimethyl adipate 627-93-0 C8H14O4
4-Methylthiazole 4-Methylthiazole 693-95-8 C4H5NS
4-Methylvaleric acid 4-Methylvaleric acid 646-07-1 C6H12O2
α-Methylcinnamaldehyde α-Methylcinnamaldehyde 101-39-3 C10H10O
Benzothiazole Benzothiazole 95-16-9 C7H5NS
L(-)-Carvone L(-)-Carvone 6485-40-1 C10H14O
2,5-Dimethyl-1H-pyrrole 2,5-Dimethyl-1H-pyrrole 625-84-3 C6H9N
Ethyl butyrylacetate Ethyl butyrylacetate 3249-68-1 C8H14O3
4-Ethylphenol 4-Ethylphenol 123-07-9 C8H10O
trans,trans-2,4-Decadien-1-al trans,trans-2,4-Decadien-1-al 25152-84-5 C10H16O
alpha-Hexylcinnamaldehyde alpha-Hexylcinnamaldehyde 101-86-0 C15H20O
Sclareol Sclareol 515-03-7 C20H36O2
DL-3-Methylvaleric acid DL-3-Methylvaleric acid 105-43-1 C6H12O2
2-Nonanone 2-Nonanone 821-55-6 C9H18O
2-Methylthiophene 2-Methylthiophene 554-14-3 C5H6S
4-Hexanolide 4-Hexanolide 695-06-7 C6H10O2
2-Acetylfuran 2-Acetylfuran 1192-62-7 C6H6O2
Ethyl benzoylacetate Ethyl benzoylacetate 94-02-0 C11H12O3
4,5-Dimethyl-2-isobutyl-3-thiazoline 4,5-Dimethyl-2-isobutyl-3-thiazoline 65894-83-9 C9H17NS
3-Methylthiophene 3-Methylthiophene 616-44-4 C5H6S
3-Methoxybenzoic acid 3-Methoxybenzoic acid 586-38-9 C8H8O3
alpha-Angelica lactone alpha-Angelica lactone 591-12-8 C5H6O2
2,5-Dimethylfuran 2,5-Dimethylfuran 625-86-5 C6H8O
2',4'-Dimethylacetophenone 2',4'-Dimethylacetophenone 89-74-7 C10H12O
trans,trans-2,4-Heptadienal trans,trans-2,4-Heptadienal 4313-03-5 C7H10O
2,4-Dimethylthiazole 2,4-Dimethylthiazole 541-58-2 C5H7NS
3,4-Hexanedione 3,4-Hexanedione 4437-51-8 C6H10O2
2-Heptanol 2-Heptanol 543-49-7 C7H16O
1-Penten-3-ol 1-Penten-3-ol 616-25-1 C5H10O
Isobutyric acid Isobutyric acid 79-31-2 C4H8O2
2-Methyl-2-pentenoic acid 2-Methyl-2-pentenoic acid 3142-72-1 C6H10O2
Octyl 4-methoxycinnamate Octyl 4-methoxycinnamate 5466-77-3 C18H26O3
2,6-Dimethyl-5-heptenal 2,6-Dimethyl-5-heptenal 106-72-9 C9H16O
2,4-Dimethyl-3-ethyl-1H-pyrrole 2,4-Dimethyl-3-ethyl-1H-pyrrole 517-22-6 C8H13N
4-Methyloctanoic acid 4-Methyloctanoic acid 54947-74-9 C9H18O2
Piperidine Piperidine 110-89-4 C5H11N
2,5-Dihydroxy-1,4-dithiane 2,5-Dihydroxy-1,4-dithiane 40018-26-6 C4H8O2S2
2-Pentylpyridine 2-Pentylpyridine 2294-76-0 C10H15N
γ-Valerolactone γ-Valerolactone 108-29-2 C5H8O2
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate 2436-79-5 C12H17NO4
3-Acetyl-2,5-dimethylthiophene 3-Acetyl-2,5-dimethylthiophene 2530-10-1 C8H10OS
gamma-Octanoic lactone gamma-Octanoic lactone 104-50-7 C8H14O2
2-Pentyl-3-methyl-2-cyclopenten-1-one 2-Pentyl-3-methyl-2-cyclopenten-1-one 1128-08-1 C11H18O
4-Heptanone 4-Heptanone 123-19-3 C7H14O
(E,E)-Farnesol (E,E)-Farnesol 106-28-5 C15H26O
Ethyl 3-phenylpropionate Ethyl 3-phenylpropionate 2021-28-5 C11H14O2
2-Octanone 2-Octanone 111-13-7 C8H16O
2',5'-Dimethoxyacetophenone 2',5'-Dimethoxyacetophenone 1201-38-3 C10H12O3
2,6-Diacetylpyridine 2,6-Diacetylpyridine 1129-30-2 C9H9NO2
1-Octen-3-ol 1-Octen-3-ol 3391-86-4 C8H16O
Ethyl crotonate Ethyl crotonate 623-70-1 C6H10O2
Pyruvic acid Pyruvic acid 127-17-3 C3H4O3
2-Acetylthiophene 2-Acetylthiophene 88-15-3 C6H6OS
4-Methyl-5-vinylthiazole 4-Methyl-5-vinylthiazole 1759-28-0 C6H7NS
2-Tridecanone 2-Tridecanone 593-08-8 C13H26O
2-Methyl-1-butanol 2-Methyl-1-butanol 137-32-6 C5H12O
4-Methyl-5-thiazolylethyl acetate 4-Methyl-5-thiazolylethyl acetate 656-53-1 C8H11NO2S
2,5-Dimethyl-3(2H)-furanone 2,5-Dimethyl-3(2H)-furanone 14400-67-0 C6H8O2
Tributyrin Tributyrin 60-01-5 C15H26O6
2,3-Pentanedione 2,3-Pentanedione 600-14-6 C5H8O2
Butyl hexanoate Butyl hexanoate 626-82-4 C10H20O2
2,5-Dimethylthiophene 2,5-Dimethylthiophene 638-02-8 C6H8S
3-Phenylpropionic acid 3-Phenylpropionic acid 501-52-0 C9H10O2
5-Hydroxymethylfurfural 5-Hydroxymethylfurfural 67-47-0 C6H6O3
1-Bromopentane 1-Bromopentane 110-53-2 C5H11Br
2-Isobutylthiazole 2-Isobutylthiazole 18640-74-9 C7H11NS
trans-2-Hexen-1-ol trans-2-Hexen-1-ol 928-95-0 C6H12O
β-Lonone β-Lonone 79-77-6 C13H20O
4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 28664-35-9 C6H8O3
1,1-Dimethoxyethane 1,1-Dimethoxyethane 534-15-6 C4H10O2
(1R)-(-)-Menthyl acetate (1R)-(-)-Menthyl acetate 2623-23-6 C12H22O2
2-Acetylpyridine 2-Acetylpyridine 1122-62-9 C7H7NO
1-Pentanol 1-Pentanol 71-41-0 C5H12O
2-Methyl-2-thiazoline 2-Methyl-2-thiazoline 2346-00-1 C4H7NS
Dihydro-2-methyl-3(2H)-thiophenone Dihydro-2-methyl-3(2H)-thiophenone 13679-85-1 C5H8OS
D(+)-Carvone D(+)-Carvone 2244-16-8 C10H14O
delta-Dodecalactone delta-Dodecalactone 713-95-1 C12H22O2
Ethyl L(-)-lactate Ethyl L(-)-lactate 687-47-8 C5H10O3
5,6,7,8-Tetrahydroquinoxaline 5,6,7,8-Tetrahydroquinoxaline 34413-35-9 C8H10N2
Quinaldine Quinaldine 91-63-4 C10H9N
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