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
Ethyl 4-methoxybenzoate Ethyl 4-methoxybenzoate 94-30-4 C10H12O3
Geranyl acetate Geranyl acetate 105-87-3 C12H20O2
4-Methyl-2-(2-methyl-1-propenyl)tetrahydropyran (cis- and trans- mixture) 4-Methyl-2-(2-methyl-1-propenyl)tetrahydropyran (cis- and trans- mixture) 16409-43-1 C10H18O
Ethyl Hexanoate Ethyl Hexanoate 123-66-0 C8H16O2
HEPTYL ACETATE HEPTYL ACETATE 112-06-1 C9H18O2
2'-Methoxycinnamaldehyde 2'-Methoxycinnamaldehyde 1504-74-1 C10H10O2
Isobutylmercaptan Isobutylmercaptan 513-44-0 C4H10S
ETHYL 2-BENZYLACETOACETATE ETHYL 2-BENZYLACETOACETATE 620-79-1 C13H16O3
Methyl 2-thiofuroate Methyl 2-thiofuroate 13679-61-3 C6H6O2S
ALPHA-ISO-METHYLIONONE ALPHA-ISO-METHYLIONONE 127-51-5 C14H22O
Benzyl methyl ether Benzyl methyl ether 538-86-3 C8H10O
ISOBUTYL ISOTHIOCYANATE ISOBUTYL ISOTHIOCYANATE 591-82-2 C5H9NS
EUGENOL ACETATE EUGENOL ACETATE 93-28-7 C12H14O3
3-(Methylthio)propyl isothiocyanate 3-(Methylthio)propyl isothiocyanate 505-79-3 C5H9NS2
Allyl methyl sulfide Allyl methyl sulfide 10152-76-8 C4H8S
Methyl isobutyrate Methyl isobutyrate 547-63-7 C5H10O2
Ethyl caprylate Ethyl caprylate 106-32-1 C10H20O2
Diethyl sebacate Diethyl sebacate 110-40-7 C14H26O4
CYCLOPENTANETHIOL CYCLOPENTANETHIOL 1679-07-8 C5H10S
Phenethyl acetate Phenethyl acetate 103-45-7 C10H12O2
Methyl thiobutyrate Methyl thiobutyrate 2432-51-1 C5H10OS
Cyclohexyl disulfide Cyclohexyl disulfide 2550-40-5 C12H22S2
3-Mercapto-1-hexanol 3-Mercapto-1-hexanol 51755-83-0 C6H14OS
5-Decanolide 5-Decanolide 705-86-2 C10H18O2
2-N-HEPTYLCYCLOPENTANONE 2-N-HEPTYLCYCLOPENTANONE 137-03-1 C12H22O
2-Methoxypyrazine 2-Methoxypyrazine 3149-28-8 C5H6N2O
DL-1-Phenethylalcohol DL-1-Phenethylalcohol 98-85-1 C8H10O
AMYL FORMATE AMYL FORMATE 638-49-3 C6H12O2
Dimethoxybenzene Dimethoxybenzene 151-10-0 C8H10O2
PROPENYL GUAETHOL PROPENYL GUAETHOL 94-86-0 C11H14O2
2-Acetyl-2-thiazoline 2-Acetyl-2-thiazoline 29926-41-8 C5H7NOS
4-tert-Butylcyclohexanone 4-tert-Butylcyclohexanone 98-53-3 C10H18O
3-Hydroxy-4-methyl-5-ethyl-2(5H)furanone 3-Hydroxy-4-methyl-5-ethyl-2(5H)furanone 698-10-2 C7H10O3
TETRAHYDROFURFURYL PROPIONATE TETRAHYDROFURFURYL PROPIONATE 637-65-0 C8H14O3
Isobutyl 2-butenoate Isobutyl 2-butenoate 589-66-2 C8H14O2
Methyl 2-methyl-3-furyl disulfide Methyl 2-methyl-3-furyl disulfide 65505-17-1 C6H8OS2
2,6-Dimethylpyrazine 2,6-Dimethylpyrazine 108-50-9 C6H8N2
2,3-Diethylpyrazine 2,3-Diethylpyrazine 15707-24-1 C8H12N2
ACETOXYACETONE ACETOXYACETONE 592-20-1 C5H8O3
Dihydrocoumarin Dihydrocoumarin 119-84-6 C9H8O2
Trimethyl thiazole Trimethyl thiazole 13623-11-5 C6H9NS
Methyl cyclohexanecarboxylate Methyl cyclohexanecarboxylate 4630-82-4 C8H14O2
Propyl disulfide Propyl disulfide 629-19-6 C6H14S2
Hexyl salicylate Hexyl salicylate 6259-76-3 C13H18O3
Allyl Propyl Disulfide Allyl Propyl Disulfide 2179-59-1 C6H12S2
3,5,5-Trimethylcyclohexane-1,2-dione 3,5,5-Trimethylcyclohexane-1,2-dione 57696-89-6 C9H14O2
5-Methyl-2-acetylfuran 5-Methyl-2-acetylfuran 1193-79-9 C7H8O2
1-Phenylethyl propionate 1-Phenylethyl propionate 120-45-6 C11H14O2
2-(4-Methylphenyl)ethanol 2-(4-Methylphenyl)ethanol 699-02-5 C9H12O
Phenethyl cinnamate Phenethyl cinnamate 103-53-7 C17H16O2
ISOPROPYL DISULFIDE ISOPROPYL DISULFIDE 4253-89-8 C6H14S2
Cinnamyl acetate Cinnamyl acetate 103-54-8 C11H12O2
6-Methyl-5-hepten-2-one 6-Methyl-5-hepten-2-one 110-93-0 C8H14O
Difurfuryl sulfide Difurfuryl sulfide 13678-67-6 C10H10O2S
Trimethyl-pyrazine Trimethyl-pyrazine 14667-55-1 C7H10N2
trans,trans-2,4-Nonadienal trans,trans-2,4-Nonadienal 5910-87-2 C9H14O
Phenylpropyl aldehyde Phenylpropyl aldehyde 104-53-0 C9H10O
Cocal Cocal 21834-92-4 C13H16O
2-Ethylbenzenethiol 2-Ethylbenzenethiol 4500-58-7 C8H10S
2,5-Dimethylfuran-3-thiol 2,5-Dimethylfuran-3-thiol 55764-23-3 C6H8OS
2-Methoxy-3-isobutyl pyrazine 2-Methoxy-3-isobutyl pyrazine 24683-00-9 C9H14N2O
Musk xylene Musk xylene 81-15-2 C12H15N3O6
Phenethyl phenylacetate Phenethyl phenylacetate 102-20-5 C16H16O2
Ethyl pyruvate Ethyl pyruvate 617-35-6 C5H8O3
Propyl sulfide Propyl sulfide 111-47-7 C6H14S
Thenoyltrifluoroacetone Thenoyltrifluoroacetone 326-91-0 C8H5F3O2S
Butanethiol Butanethiol 109-79-5 C4H10S
cis-3-Hexenyl 2-methylbutanoate cis-3-Hexenyl 2-methylbutanoate 53398-85-9 C11H20O2
DIDECYL DISULFIDE DIDECYL DISULFIDE 10496-18-1 C20H42S2
Ethyl propionate Ethyl propionate 105-37-3 C5H10O2
4,5-Dimethylthiazole 4,5-Dimethylthiazole 3581-91-7 C5H7NS
2-Ethylfuran 2-Ethylfuran 3208-16-0 C6H8O
2-METHYLTHIO-3,5-METHYLPYRAZINE 2-METHYLTHIO-3,5-METHYLPYRAZINE 67952-65-2 C7H10N2S
2-Ethyl-1-hexanethiol 2-Ethyl-1-hexanethiol 7341-17-5 C8H18S
Isobutyl cinnamate Isobutyl cinnamate 122-67-8 C13H16O2
Methyl 2-furoate Methyl 2-furoate 611-13-2 C6H6O3
ETHYL 10-UNDECENOATE ETHYL 10-UNDECENOATE 692-86-4 C13H24O2
Diallyldisulfide Diallyldisulfide 2179-57-9 C6H10S2
Diethyl phthalate Diethyl phthalate 84-66-2 C12H14O4
3-(Methylthio)-1-hexanol 3-(Methylthio)-1-hexanol 51755-66-9 C7H16OS
PIPERONYL ACETATE PIPERONYL ACETATE 326-61-4 C10H10O4
Tetrahydrolinalool Tetrahydrolinalool 78-69-3 C10H22O
2,6-Dichloropyrazine 2,6-Dichloropyrazine 4774-14-5 C4H2Cl2N2
β-Caryophyllene β-Caryophyllene 87-44-5 C15H24
4-Dodecanolide 4-Dodecanolide 2305-05-7 C12H22O2
2-Methoxynaphthalene 2-Methoxynaphthalene 93-04-9 C11H10O
Benzyl salicylate Benzyl salicylate 118-58-1 C14H12O3
Phenoxyacetic acid Phenoxyacetic acid 122-59-8 C8H8O3
ISOPROPYL CINNAMATE, 98 ISOPROPYL CINNAMATE, 98 7780-06-5 C12H14O2
Cyclohexyl acetate Cyclohexyl acetate 622-45-7 C8H14O2
alpha-Bisabolol alpha-Bisabolol 515-69-5 C15H26O
Citronellal Citronellal 106-23-0 C10H18O
Furfuryl methyl sulfide Furfuryl methyl sulfide 1438-91-1 C6H8OS
Ethyl 3-methylthiopropionate Ethyl 3-methylthiopropionate 13327-56-5 C6H12O2S
1,2-Ethanedithiol 1,2-Ethanedithiol 540-63-6 C2H6S2
2-Methylbutyl acetate 2-Methylbutyl acetate 624-41-9 C7H14O2
Methyl isoeugenol Methyl isoeugenol 93-16-3 C11H14O2
Ethyl 2-furoate Ethyl 2-furoate 614-99-3 C7H8O3
p-Tolualdehyde p-Tolualdehyde 104-87-0 C8H8O
Diphenylmethane Diphenylmethane 101-81-5 C13H12
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