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
L-Menthol L-Menthol 2216-51-5 C10H20O
Benzyl cinnamate Benzyl cinnamate 103-41-3 C16H14O2
2,6,6-Trimethyl-2-cyclohexene-1,4-dione 2,6,6-Trimethyl-2-cyclohexene-1,4-dione 1125-21-9 C9H12O2
4-Ethyl-2-methoxyphenol 4-Ethyl-2-methoxyphenol 2785-89-9 C9H12O2
2-Heptanone 2-Heptanone 110-43-0 C7H14O
3-Hexanone 3-Hexanone 589-38-8 C6H12O
4-Hydroxy-3-methoxystyrene 4-Hydroxy-3-methoxystyrene 7786-61-0 C9H10O2
Ethyl levulinate Ethyl levulinate 539-88-8 C7H12O3
gamma-Nonanolactone gamma-Nonanolactone 104-61-0 C9H16O2
2-Mercaptothiazole 2-Mercaptothiazole 82358-09-6 C3H3NS2
Isobutyraldehyde Isobutyraldehyde 78-84-2 C4H8O
Tetrahydrothiophen-3-one Tetrahydrothiophen-3-one 1003-04-9 C4H6OS
2-Ethylbutyric acid 2-Ethylbutyric acid 88-09-5 C6H12O2
4-Heptanolide 4-Heptanolide 105-21-5 C7H12O2
3-Heptylacrolein 3-Heptylacrolein 3913-81-3 C10H18O
Methyl salicylate Methyl salicylate 119-36-8 C8H8O3
1-Tetradecanol 1-Tetradecanol 112-72-1 C14H30O
2-Methylbutyraldehyde 2-Methylbutyraldehyde 96-17-3 C5H10O
Dibutyl sebacate Dibutyl sebacate 109-43-3 C18H34O4
2-Pentanone 2-Pentanone 107-87-9 C5H10O
2,6-Dimethyl-4-heptanone 2,6-Dimethyl-4-heptanone 108-83-8 C9H18O
Pyridine Pyridine 110-86-1 C5H5N
Allyl isothiocyanate Allyl isothiocyanate 57-06-7 C4H5NS
Butyl formate Butyl formate 592-84-7 C5H10O2
3-Hexanol 3-Hexanol 623-37-0 C6H14O
6-Methylquinoline 6-Methylquinoline 91-62-3 C10H9N
(E,E)-2,4-Hexadienal (E,E)-2,4-Hexadienal 142-83-6 C6H8O
2-Ethoxynaphthalene 2-Ethoxynaphthalene 93-18-5 C12H12O
2-ETHYLBUTYRALDEHYDE 2-ETHYLBUTYRALDEHYDE 97-96-1 C6H12O
Dimethyl succinate Dimethyl succinate 106-65-0 C6H10O4
Isobutyl acetoacetate Isobutyl acetoacetate 7779-75-1 C8H14O3
3-Acetylpyridine 3-Acetylpyridine 350-03-8 C7H7NO
1-UNDECANOL 1-UNDECANOL 112-42-5 C11H24O
ETHYL STEARATE ETHYL STEARATE 111-61-5 C20H40O2
2-Methoxy-4-methylphenol 2-Methoxy-4-methylphenol 93-51-6 C8H10O2
Undecanolactone Undecanolactone 710-04-3 C11H20O2
2,2'-Thiobispropane 2,2'-Thiobispropane 625-80-9 C6H14S
3',5'-Dimethoxyacetophenone 3',5'-Dimethoxyacetophenone 39151-19-4 C10H12O3
2-Acetyl-1-ethylpyrrole 2-Acetyl-1-ethylpyrrole 39741-41-8 C8H11NO
2,3-HEPTANEDIONE 2,3-HEPTANEDIONE 96-04-8 C7H12O2
2-Methyltetrahydrofuran-3-one 2-Methyltetrahydrofuran-3-one 3188-00-9 C5H8O2
Isobutyl hexanoate Isobutyl hexanoate 105-79-3 C10H20O2
Difurfuryldisulfide Difurfuryldisulfide 4437-20-1 C10H10O2S2
Isopropenyl acetate Isopropenyl acetate 108-22-5 C5H8O2
Diethyl disulfide Diethyl disulfide 110-81-6 C4H10S2
1-Hexanethiol 1-Hexanethiol 111-31-9 C6H14S
Diethyl succinate Diethyl succinate 123-25-1 C8H14O4
Pyrrolidine Pyrrolidine 123-75-1 C4H9N
2-Methyl-1-butanethiol 2-Methyl-1-butanethiol 1878-18-8 C5H12S
2-Phenylethanethiol 2-Phenylethanethiol 4410-99-5 C8H10S
Palmitic acid ethyl ester Palmitic acid ethyl ester 628-97-7 C18H36O2
Hexanal Hexanal 66-25-1 C6H12O
Cedarwood oil Cedarwood oil 8000-27-9 NULL
Allyl mercaptan Allyl mercaptan 870-23-5 C3H6S
AMYL BUTYRATE AMYL BUTYRATE 540-18-1 C9H18O2
Diethyl malonate Diethyl malonate 105-53-3 C7H12O4
Isobutyl acetate Isobutyl acetate 110-19-0 C6H12O2
Ethyl valerate Ethyl valerate 539-82-2 C7H14O2
2,3-Dimethylpyrazine 2,3-Dimethylpyrazine 5910-89-4 C6H8N2
Ethyl isobutyrate Ethyl isobutyrate 97-62-1 C6H12O2
Propyl acetate Propyl acetate 109-60-4 C5H10O2
Ethyl 3-mercaptopropionate Ethyl 3-mercaptopropionate 5466-06-8 C5H10O2S
Cuminaldehyde Cuminaldehyde 122-03-2 C10H12O
Dihydromyrcenol Dihydromyrcenol 18479-58-8 C10H20O
Methyl acetate Methyl acetate 79-20-9 C3H6O2
trans-Cinnamaldehyde trans-Cinnamaldehyde 14371-10-9 C9H8O
Butyl propionate Butyl propionate 590-01-2 C7H14O2
1,1'-Thiobisethane 1,1'-Thiobisethane 352-93-2 C4H10S
3-Hydroxy-4-methoxycinnamic acid 3-Hydroxy-4-methoxycinnamic acid 537-73-5 C10H10O4
10-Undecenal 10-Undecenal 112-45-8 C11H20O
Cyclopentadecanolide Cyclopentadecanolide 106-02-5 C15H28O2
Ethyl cinnamate Ethyl cinnamate 103-36-6 C11H12O2
Thioanisole Thioanisole 100-68-5 C7H8S
3-Mercapto-2-butanone 3-Mercapto-2-butanone 40789-98-8 C4H8OS
NONYL ACETATE NONYL ACETATE 143-13-5 C11H22O2
6-Pentyl-2H-pyran-2-one 6-Pentyl-2H-pyran-2-one 27593-23-3 C10H14O2
Furfuryl thiopropionate Furfuryl thiopropionate 59020-85-8 C8H10O2S
Camphene Camphene 79-92-5 C10H16
4-Ethyloctanoic acid 4-Ethyloctanoic acid 16493-80-4 C10H20O2
Ethyl benzoate Ethyl benzoate 93-89-0 C9H10O2
delta-Tetradecalactone delta-Tetradecalactone 2721-22-4 C14H26O2
Methyl furfuryl disulfide Methyl furfuryl disulfide 57500-00-2 C6H8OS2
2-Ethoxythiazole 2-Ethoxythiazole 15679-19-3 C5H7NOS
Cinnamyl chloride Cinnamyl chloride 2687-12-9 C9H9Cl
Butyl benzoate Butyl benzoate 136-60-7 C11H14O2
1,1-Dimethoxy-3,7-dimethylocta-2,6-diene 1,1-Dimethoxy-3,7-dimethylocta-2,6-diene 7549-37-3 C12H22O2
2,3-Diethyl-5-methylpyrazine 2,3-Diethyl-5-methylpyrazine 18138-04-0 C9H14N2
Methyl dihydrojasmonate Methyl dihydrojasmonate 24851-98-7 C13H22O3
Furfuryl mercaptan Furfuryl mercaptan 98-02-2 C5H6OS
2-Cyclohexylethanol 2-Cyclohexylethanol 4442-79-9 C8H16O
CYCLOHEXYL BUTYRATE CYCLOHEXYL BUTYRATE 1551-44-6 C10H18O2
Isobutyl 3,5-diamino-4-chloro benzoate Isobutyl 3,5-diamino-4-chloro benzoate 32961-44-7 C11H15ClN2O2
Isoamyl propionate Isoamyl propionate 105-68-0 C8H16O2
Maltol isobutyrate Maltol isobutyrate 65416-14-0 C10H12O4
Ethyl isovalerate Ethyl isovalerate 108-64-5 C7H14O2
Phenoxyethyl isobutyrate Phenoxyethyl isobutyrate 103-60-6 C12H16O3
CIS-3-HEXENYL ISOBUTYRATE CIS-3-HEXENYL ISOBUTYRATE 41519-23-7 C10H18O2
Raspberry Ketone Raspberry Ketone 5471-51-2 C10H12O2
2-Acetyl-3-methylpyrazine 2-Acetyl-3-methylpyrazine 23787-80-6 C7H8N2O
Methyl isovalerate Methyl isovalerate 556-24-1 C6H12O2
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