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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
Anisonitrile Anisonitrile 874-90-8 C8H7NO
Isovaleraldehyde Isovaleraldehyde 590-86-3 C5H10O
Isoamyl butyrate Isoamyl butyrate 106-27-4 C9H18O2
Isobornyl acetate Isobornyl acetate 125-12-2 C12H20O2
Undecan-4-olide Undecan-4-olide 104-67-6 C11H20O2
2-Methyl-3-(3,4-methylenedioxyphenyl)propanal 2-Methyl-3-(3,4-methylenedioxyphenyl)propanal 1205-17-0 C11H12O3
3-Methylthiopropanol 3-Methylthiopropanol 505-10-2 C4H10OS
1-Phenyl-1-propanol 1-Phenyl-1-propanol 93-54-9 C9H12O
Methyl heptanoate Methyl heptanoate 106-73-0 C8H16O2
2,3-Butanedithiol 2,3-Butanedithiol 4532-64-3 C4H10S2
L(+)-Diethyl L-tartrate L(+)-Diethyl L-tartrate 87-91-2 C8H14O6
Tridecanal Tridecanal 10486-19-8 C13H26O
Isobutyl cyanoacetate Isobutyl cyanoacetate 13361-31-4 C7H11NO2
Furfuryl isopropyl sulfide Furfuryl isopropyl sulfide 1883-78-9 C8H12OS
Hippuric acid Hippuric acid 495-69-2 C9H9NO3
BENZYL METHYL SULFIDE BENZYL METHYL SULFIDE 766-92-7 C8H10S
Methyl tiglate Methyl tiglate 6622-76-0 C6H10O2
4-Methylanisole 4-Methylanisole 104-93-8 C8H10O
Furfuryl acetate Furfuryl acetate 623-17-6 C7H8O3
p-Tolyl phenylacetate p-Tolyl phenylacetate 101-94-0 C15H14O2
2-BENZYL-1,3-DIOXOLANE 2-BENZYL-1,3-DIOXOLANE 101-49-5 C10H12O2
4-tert-Butylcyclohexanol 4-tert-Butylcyclohexanol 98-52-2 C10H20O
3,5,5-TRIMETHYLHEXYL ACETATE 3,5,5-TRIMETHYLHEXYL ACETATE 58430-94-7 C11H22O2
Vanillin isobutyrate Vanillin isobutyrate 20665-85-4 C12H14O4
2-Ethyl-3,5-dimethylpyrazine 2-Ethyl-3,5-dimethylpyrazine 55031-15-7 C8H12N2
4-TERT-BUTYLANISOLE 4-TERT-BUTYLANISOLE 5396-38-3 C11H16O
Myrcene Myrcene 123-35-3 C10H16
4-Nitrocinnamic acid 4-Nitrocinnamic acid 619-89-6 C9H7NO4
3-NONANOL 3-NONANOL 624-51-1 C9H20O
2,5-Dimethyl pyrazine 2,5-Dimethyl pyrazine 123-32-0 C6H8N2
Hexyl acetate Hexyl acetate 142-92-7 C8H16O2
Whiskey lactone Whiskey lactone 39212-23-2 C9H16O2
cis-6-Nonen-1-ol cis-6-Nonen-1-ol 35854-86-5 C9H18O
2-Ethoxy-3-methylpyrazine 2-Ethoxy-3-methylpyrazine 32737-14-7 C7H10N2O
Dodecanenitrile Dodecanenitrile 2437-25-4 C12H23N
cis-3-Hexenyl formate cis-3-Hexenyl formate 33467-73-1 C7H12O2
Allyl phenoxyacetate Allyl phenoxyacetate 7493-74-5 C11H12O3
Damascenone Damascenone 23696-85-7 C13H18O
2-Methyl-3-(methylthio)furan 2-Methyl-3-(methylthio)furan 63012-97-5 C6H8OS
Benzyl butyrate Benzyl butyrate 103-37-7 C11H14O2
Cedryl acetate Cedryl acetate 77-54-3 C17H28O2
cis-3-Hexenyl lactate cis-3-Hexenyl lactate 61931-81-5 C9H16O3
2-Methylpyrazine 2-Methylpyrazine 109-08-0 C5H6N2
Jasmone Jasmone 488-10-8 C11H16O
2-Methyl-1-phenyl-2-propanol 2-Methyl-1-phenyl-2-propanol 100-86-7 C10H14O
2-Chlorocinnamic acid 2-Chlorocinnamic acid 3752-25-8 C9H7ClO2
CROTONIC ACID CIS-3-HEXEN-1-YL ESTER CROTONIC ACID CIS-3-HEXEN-1-YL ESTER 65405-80-3 C10H16O2
4-FLUOROPHTHALONITRILE 4-FLUOROPHTHALONITRILE 65610-14-2 C8H3FN2
ISOPROPYL PROPIONATE ISOPROPYL PROPIONATE 637-78-5 C6H12O2
Piperonyl acetone Piperonyl acetone 55418-52-5 C11H12O3
Hexyl propionate Hexyl propionate 2445-76-3 C9H18O2
Methyl trans-2-nonenoate Methyl trans-2-nonenoate 111-79-5 C10H18O2
2-Pyridinemethanethiol 2-Pyridinemethanethiol 2044-73-7 C6H7NS
2-Mercaptomethylpyrazine 2-Mercaptomethylpyrazine 59021-02-2 C5H6N2S
CIS-3-OCTEN-1-OL CIS-3-OCTEN-1-OL 20125-84-2 C8H16O
GERANYL ISOVALERATE GERANYL ISOVALERATE 109-20-6 C15H26O2
1,3-Diphenylacetone 1,3-Diphenylacetone 102-04-5 C15H14O
ETHYL 2-FUROATE ETHYL 2-FUROATE 1335-40-6 C7H8O3
2-Nitrocinnamic acid 2-Nitrocinnamic acid 612-41-9 C9H7NO4
Pentyl cinnamate Pentyl cinnamate 3487-99-8 C14H18O2
(E,E)-2,4-Dodecadienal (E,E)-2,4-Dodecadienal 21662-16-8 C12H20O
ISOBUTYL GALLATE ISOBUTYL GALLATE 3856-05-1 C11H14O5
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-yl)-but-2-en-1-ol 2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-yl)-but-2-en-1-ol 28219-61-6 C14H24O
4-(Trifluoromethyl)cinnamic acid 4-(Trifluoromethyl)cinnamic acid 16642-92-5 C10H7F3O2
4-ISOPROPYLBENZONITRILE 4-ISOPROPYLBENZONITRILE 13816-33-6 C10H11N
Muscone Muscone 541-91-3 C16H30O
FEMA 3377 FEMA 3377 557-48-2 C9H14O
2-Methylfuran-3-thiol acetate 2-Methylfuran-3-thiol acetate 55764-25-5 C7H8O2S
N-CAPROIC ACID ISOPROPYL ESTER N-CAPROIC ACID ISOPROPYL ESTER 2311-46-8 C9H18O2
ETHYL 2-NONYNOATE ETHYL 2-NONYNOATE 10031-92-2 C11H18O2
Allyl-α-ionone Allyl-α-ionone 79-78-7 C16H24O
Ethyl 3-(benzylamino)propanoate Ethyl 3-(benzylamino)propanoate 23583-21-3 C12H17NO2
3-DECANOL 3-DECANOL 1565-81-7 C10H22O
4'-Fluoropropiophenone 4'-Fluoropropiophenone 456-03-1 C9H9FO
GALAXOLIDE GALAXOLIDE 1222-05-5 C18H26O
BENZYL ISOAMYL ETHER BENZYL ISOAMYL ETHER 122-73-6 C12H18O
4-Methyl-3-decen-5-ol 4-Methyl-3-decen-5-ol 81782-77-6 C11H22O
3-Nitrocinnamic acid 3-Nitrocinnamic acid 555-68-0 C9H7NO4
BENZYL LAURATE BENZYL LAURATE 140-25-0 C19H30O2
(-)-MYRTENOL (-)-MYRTENOL 19894-97-4 C10H16O
Butyl 2-methylbutyrate Butyl 2-methylbutyrate 15706-73-7 C9H18O2
2-METHYLUNDECANAL 2-METHYLUNDECANAL 110-41-8 C12H24O
CARYOPHYLLENE OXIDE CARYOPHYLLENE OXIDE 1139-30-6 C15H24O
1-(4-Methoxyphenyl)-1-penten-3-one 1-(4-Methoxyphenyl)-1-penten-3-one 104-27-8 C12H14O2
Ethyl 3-methylvalerate Ethyl 3-methylvalerate 5870-68-8 C8H16O2
NOOTKATONE NOOTKATONE 4674-50-4 C15H22O
Tripropionin Tripropionin 139-45-7 C12H20O6
METHYL JASMONATE METHYL JASMONATE 1211-29-6 C13H20O3
FEMA 2952 FEMA 2952 17369-59-4 C11H10O2
Tiglic acid Tiglic acid 80-59-1 C5H8O2
2-N-HEPTYLFURAN 2-N-HEPTYLFURAN 3777-71-7 C11H18O
BISABOLENE BISABOLENE 495-62-5 C15H24
O-TERT-BUTYLCYCLOHEXYL ACETATE O-TERT-BUTYLCYCLOHEXYL ACETATE 88-41-5 C12H22O2
CITRONELLYL PROPIONATE CITRONELLYL PROPIONATE 141-14-0 C13H24O2
5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine 5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine 36267-71-7 C7H8N2S
Ethyl 2-methyl-4-pentenoate Ethyl 2-methyl-4-pentenoate 53399-81-8 C8H14O2
ACETOACETIC ACID ISOAMYL ESTER ACETOACETIC ACID ISOAMYL ESTER 2308-18-1 C9H16O3
6-METHYL-3,5-HEPTADIEN-2-ONE 6-METHYL-3,5-HEPTADIEN-2-ONE 1604-28-0 C8H12O
ISOBUTYL DECANOATE ISOBUTYL DECANOATE 30673-38-2 C14H28O2
2,5-Diethylpyrazine 2,5-Diethylpyrazine 13238-84-1 C8H12N2
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