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
Methanethiolacetate Methanethiolacetate C3H5OS-
Thiofuroic acid Thiofuroic acid C5H4O2S
Benzyl isovalerate Benzyl isovalerate C12H16O2
3,7-Dimethyl-6-octen-3-ol 3,7-Dimethyl-6-octen-3-ol C10H20O
2,4-DIISOPROPYL ESTER 2,4-DIISOPROPYL ESTER
2,5-DIMETHYLCINNAMIC ACID 2,5-DIMETHYLCINNAMIC ACID 95883-10-6 C11H12O2
3-(hydroxymethyl)heptan-2-one 3-(hydroxymethyl)heptan-2-one 65405-68-7 C8H16O2
1,2-DI((1'-ETHOXY)ETHOXY)PROPANE 1,2-DI((1'-ETHOXY)ETHOXY)PROPANE 67715-79-1 C11H24O4
FEMA 3710 FEMA 3710 36781-67-6 C10H18O2
Benzaldehydedipropylthioacetal Benzaldehydedipropylthioacetal C13H20OS
Propionaldehydedimethylthioacetal Propionaldehydedimethylthioacetal C5H12OS
Comphene Comphene 565-00-4 C10H16
2,4,8-TRIMETHYL-3,7-NONADIEN-2-OL 2,4,8-TRIMETHYL-3,7-NONADIEN-2-OL 479547-57-4 C12H22O
2,4,8-TRIMETHYL-7-NONEN-2-OL 2,4,8-TRIMETHYL-7-NONEN-2-OL 437770-28-0 C12H24O
Cyclohexanepentanoic acid, 2-propenyl ester Cyclohexanepentanoic acid, 2-propenyl ester 7493-68-7 C14H24O2
Ibuprofen piconol Ibuprofen piconol 82962-58-1 C19H23NO2
Allyl caprylate Allyl caprylate C11H20O2
Methyl Gui Methyl Gui
2,3,4-TRITHIAHEXANE 2,3,4-TRITHIAHEXANE 31499-71-5 C3H8S3
2,3,5-Trimrthyl-6-isoamylpyrazine 2,3,5-Trimrthyl-6-isoamylpyrazine C12H20N2
2,3-Dimethyl-5-(2-methylbutyl)pyrazine 2,3-Dimethyl-5-(2-methylbutyl)pyrazine C11H18N2
2-Isopropyl-5-methylthio-2-pentenal 2-Isopropyl-5-methylthio-2-pentenal C9H16OS
4-mercapto-4-methyl-2-pentanol 4-mercapto-4-methyl-2-pentanol 31539-84-1 C6H14OS
3-(FURFURYLDITHIO)-2-METHYLFURAN 3-(FURFURYLDITHIO)-2-METHYLFURAN 109537-55-5 C10H10O2S2
(1-BUTENYL-1)METHYLSULPHIDE (1-BUTENYL-1)METHYLSULPHIDE 32951-19-2 C5H10S
1,1-Dimethylthio-2,4-decadienal 1,1-Dimethylthio-2,4-decadienal C12H21OS2
3-Ethoxy-4-hydroxyBenzaldehydepropyleneglyolacetal 3-Ethoxy-4-hydroxyBenzaldehydepropyleneglyolacetal C12H16O4
2,4-DIMETHOXYCINNAMIC ACID 2,4-DIMETHOXYCINNAMIC ACID 16909-09-4 C11H12O4
FEMA 2296 FEMA 2296 78761-39-4 C13H16O2
FEMA 3227 FEMA 3227 5905-46-4 C6H12S2
4-IODOCINNAMIC ACID 4-IODOCINNAMIC ACID 34633-09-5 C9H7IO2
4-METHOXYBENZYL ALCOHOL 4-METHOXYBENZYL ALCOHOL 1331-81-3 C8H10O2
2-BROMO-1-(3-BROMOPHENYL)-1-PROPANONE 2-BROMO-1-(3-BROMOPHENYL)-1-PROPANONE 76650-08-3 C9H8Br2O
methyl prop-1-enyl disulphide methyl prop-1-enyl disulphide 5905-47-5 C4H8S2
S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate 55764-28-8 C11H16O2S
2,3-Dimethyl-5-isopropylpyrazine 2,3-Dimethyl-5-isopropylpyrazine C9H14N2
hydroxypentanone,3-hydroxy-2-pentanone hydroxypentanone,3-hydroxy-2-pentanone 3142-66-3 C5H10O2
1,2,4-Trithiolane, 3,5-diethyl- 1,2,4-Trithiolane, 3,5-diethyl- 54644-28-9 C6H12S3
2,4-Pentadienal 2,4-Pentadienal 764-40-9 C5H6O
NISTC42474442 NISTC42474442 42474-44-2 C3H8S3
NOOTKATONE(SG) NOOTKATONE(SG)
HEXENAL HEXENAL 25166-87-4 C6H10O
DIMERCAPTOMETHANE DIMERCAPTOMETHANE 6725-64-0 CH4S2
4,5-DIMETHYL-2-ISOPROPYL-3-THIAZOLINE 4,5-DIMETHYL-2-ISOPROPYL-3-THIAZOLINE 33120-74-0 C8H13NS2
1,1-Dimethylthio-2,4-nonadienal 1,1-Dimethylthio-2,4-nonadienal C11H19OS2
2-BUTYL PYRAZINE 2-BUTYL PYRAZINE 29460-91-1 C8H12N2
2-METHOXY-3-METHYLPYRAZINE 2-METHOXY-3-METHYLPYRAZINE 68378-13-2 C6H8N2O
TEAALCOHOL TEAALCOHOL
Prohydrojasmon Prohydrojasmon 158474-72-7 C15H26O3
(4-CARBOXYPHENYL)ACETONE (4-CARBOXYPHENYL)ACETONE 15482-54-9 C10H10O3
2-methoxy-6-methylpyrazine 2-methoxy-6-methylpyrazine 2882-21-5 C6H8N2O
BENZALDEHYDE DIMETHYLTHIOL ACETAL BENZALDEHYDE DIMETHYLTHIOL ACETAL C9H12O2S2
Bicyclohomofarnesal Bicyclohomofarnesal 3243-36-5 C16H26O
Allylthioacetate Allylthioacetate 23973-51-5 C5H8OS
p-acrylic cinnamic acid p-acrylic cinnamic acid
(+/-)-trans-andcis-4,8-Dimethyl-3,7-nona-dien-2-ol (+/-)-trans-andcis-4,8-Dimethyl-3,7-nona-dien-2-ol
2-[(Methylthio)-methyl]-3-(5-methyl-furfuryl)-propenal 2-[(Methylthio)-methyl]-3-(5-methyl-furfuryl)-propenal C11H14O2S
(3-(TRIFLUOROMETHOXY)PHENYL)ACETONE (3-(TRIFLUOROMETHOXY)PHENYL)ACETONE 42823-09-6 C9H10F3N5O.ClH
METHYL ABIETATE METHYL ABIETATE 68186-14-1 C21H32O2
1-BENZYLOXY-2-METHOXY-4-(1-PROPENYL)BENZENE 1-BENZYLOXY-2-METHOXY-4-(1-PROPENYL)BENZENE 92666-21-2 C17H18O2
3-(3-TRIFLUOROMETHYL-PHENYL)-ACRYLIC ACID ETHYL ESTER 3-(3-TRIFLUOROMETHYL-PHENYL)-ACRYLIC ACID ETHYL ESTER 113048-68-3 C12H11F3O2
3,4,5-TRIMETHOXYCINNAMIC ACID ETHYL ESTER 3,4,5-TRIMETHOXYCINNAMIC ACID ETHYL ESTER 1878-29-1 C14H18O5
ETHYL SAFRANATE ETHYL SAFRANATE 35044-58-7 C12H18O2
TRANS-2-HEREN-1-OL TRANS-2-HEREN-1-OL C10H18O
ethyl 4-(methylthio)butyrate ethyl 4-(methylthio)butyrate 22014-48-8 C7H14O2S
(Z)-dihydro-5-(2-octenyl)furan-2(3H)-one (Z)-dihydro-5-(2-octenyl)furan-2(3H)-one 18679-18-0 C12H20O2
Ethyl 4-chlorocinnamate Ethyl 4-chlorocinnamate 24393-52-0 C11H11ClO2
Citronellyl Formate Citronellyl Formate
1,8-Dihydroxy-2,8-dithiocyclotetradecane 1,8-Dihydroxy-2,8-dithiocyclotetradecane 68134-79-2 C12H20O2S2
2-Ethyl-6-methylpyrazine 2-Ethyl-6-methylpyrazine C7H10N2
2,3-Dimethyl-5-isobutylpyrazine 2,3-Dimethyl-5-isobutylpyrazine C10H16N2
6-methylheptoxycarbonylmethanethiolate: trimethyltin 6-methylheptoxycarbonylmethanethiolate: trimethyltin 54849-39-7 C13H28O2SSn
2-HYDROXY-3-METHYL-4-QUINOLINECARBOXYLIC ACID 2-HYDROXY-3-METHYL-4-QUINOLINECARBOXYLIC ACID 6625-08-7 C11H9NO3
3-((2-METHYL-3-FURYL)THIO)-2-BUTANONE 3-((2-METHYL-3-FURYL)THIO)-2-BUTANONE 61295-44-1 C9H12O2S
4-Dodecenal, (4Z)- 4-Dodecenal, (4Z)- 21944-98-9 C12H22O
5-BROMO-2-(TRIFLUOROMETHOXY)CINNAMIC ACID 5-BROMO-2-(TRIFLUOROMETHOXY)CINNAMIC ACID 1381952-88-0 C10H6BrF3O3
DIHYDROCARVEOL DIHYDROCARVEOL 38049-26-2 C10H18O
1,1-Dimethylthio-2,4-heptadienal 1,1-Dimethylthio-2,4-heptadienal C9H15OS2
10-UNDECENAL 10-UNDECENAL 143-14-6 C11H20O
CYCLOPENTADECANOLIDE CYCLOPENTADECANOLIDE 32539-85-8 C15H28O2
6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN 6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN 1506-02-1 C18H26O
FEMA 3498 FEMA 3498 10032-11-8 C11H20O2
DELTA-TETRADECALACTONE DELTA-TETRADECALACTONE 92446-06-5 C14H26O2
2-CHLORO-6-FLUOROPHENYLACETONE 2-CHLORO-6-FLUOROPHENYLACETONE 93839-16-8 C9H8ClFO
3-(4-METHYLBENZOYL)ACRYLIC ACID 3-(4-METHYLBENZOYL)ACRYLIC ACID 20972-36-5 C11H10O3
ISOVALERALDEHYDE DI(2-MERCAPTO-ETHYL)ACETAL ISOVALERALDEHYDE DI(2-MERCAPTO-ETHYL)ACETAL C9H20O2S2
1-HEXEN-3-YL ACETATE 1-HEXEN-3-YL ACETATE 35926-04-6 C8H14O2
ETHYL 3-NITROCINNAMATE ETHYL 3-NITROCINNAMATE 5396-71-4 C11H11NO4
Thiazole, 5-ethenyl-2,4-dimethyl- Thiazole, 5-ethenyl-2,4-dimethyl- 65505-18-2 C7H9NS
DIHYDROCARVYLACETATE, (+)-(SG) DIHYDROCARVYLACETATE, (+)-(SG)
4-Methyl-4-(2-methyl-3-furylmercapto)pentanone-2 4-Methyl-4-(2-methyl-3-furylmercapto)pentanone-2 C11H16O2S
Methylthiopropylacetalpropionate Methylthiopropylacetalpropionate
trans-p-ChlorocinnaMic acid trans-p-ChlorocinnaMic acid C9H7ClO2
5-HYDROXY-2-DECENOIC ACID LACTONE 5-HYDROXY-2-DECENOIC ACID LACTONE 16400-72-9 C12H20O2
TETRAHYDROMYRCENOL TETRAHYDROMYRCENOL 41678-36-8 C10H22O
CEDARWOOD CFC CEDARWOOD CFC 68990-83-0
ETHYL TRANS-BETA-METHYLCINNAMATE ETHYL TRANS-BETA-METHYLCINNAMATE 945-93-7 C12H14O2
3-METHYLCINNAMIC ACID 3-METHYLCINNAMIC ACID 14473-89-3 C10H10O2
FEMA 2791 FEMA 2791 7786-47-2 C14H28O2
2,5-DIMETHYLPHENYLACETONE 2,5-DIMETHYLPHENYLACETONE 53291-89-7 C11H14O
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