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
METHYL 4-CHLOROCINNAMATE METHYL 4-CHLOROCINNAMATE 7560-44-3 C10H9ClO2
(1R)-(-)-Nopol (1R)-(-)-Nopol 35836-73-8 C11H18O
4-ETHOXYCINNAMIC ACID 4-ETHOXYCINNAMIC ACID 2373-79-7 C11H12O3
ETHYL PROPIONYL PYRUVATE ETHYL PROPIONYL PYRUVATE 13246-52-1 C8H12O4
3-Mercapto-2-methylpenta-1-ol 3-Mercapto-2-methylpenta-1-ol 227456-27-1 C6H14OS
alpha-Phenylcinnamic acid alpha-Phenylcinnamic acid 91-48-5 C15H12O2
3-METHYLCINNAMIC ACID 3-METHYLCINNAMIC ACID 3029-79-6 C10H10O2
VANILLIN PROPYLENE GLYCOL ACETAL VANILLIN PROPYLENE GLYCOL ACETAL 68527-74-2 C11H14O4
METHYLIONONE METHYLIONONE 1335-46-2 C14H22O
BETA-N-METHYLIONONE BETA-N-METHYLIONONE 127-43-5 C14H22O
OCTYL PROPIONATE OCTYL PROPIONATE 142-60-9 C11H22O2
DIHYDROEUGENOL DIHYDROEUGENOL 2785-87-7 C10H14O2
TRANS-2,6-DIFLUOROCINNAMIC ACID TRANS-2,6-DIFLUOROCINNAMIC ACID 102082-89-3 C9H6F2O2
TERPINEOL TERPINEOL 8006-39-1 C20H36O2
FEMA 2535 FEMA 2535 4112-89-4 C15H14O3
2,5-DICHLOROCINNAMIC ACID 2,5-DICHLOROCINNAMIC ACID 20595-47-5 C9H6Cl2O2
ETHYL 3-(2-FURYL)PROPIONATE ETHYL 3-(2-FURYL)PROPIONATE 10031-90-0 C9H12O3
MYRAC ALDEHYDE MYRAC ALDEHYDE 37677-14-8 C13H20O
8,9-Epoxy cedrane 8,9-Epoxy cedrane 13567-39-0 C15H24O
Ethyl 4-nitrocinnamate Ethyl 4-nitrocinnamate 953-26-4 C11H11NO4
2-N-PENTYLCYCLOPENTANONE 2-N-PENTYLCYCLOPENTANONE 4819-67-4 C10H18O
Menthyl isovalerate Menthyl isovalerate 16409-46-4 C15H28O2
3-(Methylthio)hexyl acetate 3-(Methylthio)hexyl acetate 51755-85-2 C9H18O2S
HEPTYL FORMATE HEPTYL FORMATE 112-23-2 C8H16O2
ALLYL THIOPROPIONATE ALLYL THIOPROPIONATE 41820-22-8 C6H10OS
4-Mercapto-2-butanone 4-Mercapto-2-butanone 34619-12-0 C4H8OS
ALLYL 2-FUROATE ALLYL 2-FUROATE 4208-49-5 C8H8O3
ORANILE ORANILE 629-63-0 C14H27N
ISOJASMONE ISOJASMONE 95-41-0 C11H18O
LINALYL BUTYRATE LINALYL BUTYRATE 78-36-4 C14H24O2
ANISYL PHENYLACETATE ANISYL PHENYLACETATE 102-17-0 C16H16O3
ETHYL 4-PHENYLBUTYRATE ETHYL 4-PHENYLBUTYRATE 10031-93-3 C12H16O2
trans-2,3,4-Trimethoxycinnamic acid trans-2,3,4-Trimethoxycinnamic acid 33130-03-9 C12H14O5
Methyl 3-(4-bromomethyl)cinnamate Methyl 3-(4-bromomethyl)cinnamate 946-99-6 C11H11BrO2
HEXALDEHYDE DIETHYL ACETAL HEXALDEHYDE DIETHYL ACETAL 3658-93-3 C10H22O2
CITRONELLYL ISOBUTYRATE CITRONELLYL ISOBUTYRATE 97-89-2 C14H26O2
DIHYDROMYRCENYL ACETATE DIHYDROMYRCENYL ACETATE 53767-93-4 C12H22O2
BUTYL-2-METHYLVALERATE BUTYL-2-METHYLVALERATE 6297-41-2 C10H20O2
3,4,5-TRIFLUOROCINNAMIC ACID 3,4,5-TRIFLUOROCINNAMIC ACID 152152-19-7 C9H5F3O2
CITRONELLYL VALERATE CITRONELLYL VALERATE 7540-53-6 C15H28O2
HERBAL PROPIONATE HERBAL PROPIONATE 17511-60-3 C13H18O2
ALPHA-AMYLCINNAMYL ALCOHOL ALPHA-AMYLCINNAMYL ALCOHOL 101-85-9 C14H20O
(2E,4E)-2,4-Decadien-1-ol (2E,4E)-2,4-Decadien-1-ol 18409-21-7 C10H18O
ANISYL FORMATE ANISYL FORMATE 122-91-8 C9H10O3
4-Hydroxycinnamic acid 4-Hydroxycinnamic acid 7400-08-0 C9H8O3
TRANS-2-UNDECEN-1-OL TRANS-2-UNDECEN-1-OL 37617-03-1 C11H22O
IRONE IRONE 79-69-6 C14H22O
METHYL 2-METHYLPENTANOATE METHYL 2-METHYLPENTANOATE 2177-77-7 C7H14O2
5-METHYL-2-(METHYLTHIO)FURAN 5-METHYL-2-(METHYLTHIO)FURAN 13678-59-6 C6H8OS
ISOMENTHONE ISOMENTHONE 491-07-6 C10H18O
Caprylic acid methyl ester Caprylic acid methyl ester 111-11-5 C9H18O2
4-Formylcinnamic acid 4-Formylcinnamic acid 23359-08-2 C10H8O3
(2E,4E)-2,4-Octadienal (2E,4E)-2,4-Octadienal 30361-28-5 C8H12O
ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL 6290-17-1 C9H16O4
ALLYL 2-ETHYLBUTYRATE ALLYL 2-ETHYLBUTYRATE 7493-69-8 C9H16O2
2-phenylpropionaldehyde dimethyl acetal 2-phenylpropionaldehyde dimethyl acetal 90-87-9 C11H16O2
TRANS-3,3,5-TRIMETHYLCYCLOHEXANOL TRANS-3,3,5-TRIMETHYLCYCLOHEXANOL 767-54-4 C9H18O
3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID 3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID 1135-23-5 C10H12O4
DINOCAP DINOCAP 131-72-6 C18H24N2O6
2,5-Dimethyl-3-thiofuroylfuran 2,5-Dimethyl-3-thiofuroylfuran 65505-16-0 C11H10O3S
2,2-Dimethyl-3-phenylpropionaldehyde 2,2-Dimethyl-3-phenylpropionaldehyde 1009-62-7 C11H14O
3-METHOXYPHENYLACETONE 3-METHOXYPHENYLACETONE 3027-13-2 C10H12O2
1-ACETAMIDO-ACETONE 1-ACETAMIDO-ACETONE 7737-16-8 C5H9NO2
METHYL CINNAMATE METHYL CINNAMATE 1754-62-7 C10H10O2
2-Formylcinnamic acid 2-Formylcinnamic acid 130036-17-8 C10H8O3
DL-MENTHYL ACETATE DL-MENTHYL ACETATE C12H22O2
4-FLUORO-3-(TRIFLUOROMETHYL)CINNAMIC ACID 4-FLUORO-3-(TRIFLUOROMETHYL)CINNAMIC ACID 239463-90-2 C10H6F4O2
2,4-DIFLUOROCINNAMIC ACID 2,4-DIFLUOROCINNAMIC ACID 774-73-2 C9H6F2O2
TRANS-2,4-DICHLOROCINNAMIC ACID TRANS-2,4-DICHLOROCINNAMIC ACID 1201-99-6 C9H6Cl2O2
2,4,5-TRIFLUOROCINNAMIC ACID 2,4,5-TRIFLUOROCINNAMIC ACID 247170-17-8 C9H5F3O2
2-PROPENYL PROPYL TRISULFIDE 2-PROPENYL PROPYL TRISULFIDE 33922-73-5 C6H12S3
HYDROXY CITRONELLAL DIETHYL ACETAL HYDROXY CITRONELLAL DIETHYL ACETAL 7779-94-4 C14H30O3
2,4-OCTADIEN-1-OL 2,4-OCTADIEN-1-OL 18409-20-6 C8H14O
2-FLUORO-5-(TRIFLUOROMETHYL)CINNAMIC ACID 2-FLUORO-5-(TRIFLUOROMETHYL)CINNAMIC ACID 247113-91-3 C10H6F4O2
S-Methyl isovalerate S-Methyl isovalerate 23747-45-7 C6H12OS
Menthyl acetate Menthyl acetate 29066-34-0 C12H22O2
METHYL-2-BUTYL-ISO-BUTYRATE METHYL-2-BUTYL-ISO-BUTYRATE 2445-69-4 C9H18O2
AMBRETTOLIDE AMBRETTOLIDE 7779-50-2 C16H28O2
FEMA 2348 FEMA 2348 21722-83-8 C10H18O2
FEMA 2575 FEMA 2575 1117-55-1 C14H28O2
4-BROMOCINNAMIC ACID 4-BROMOCINNAMIC ACID 50663-21-3 C9H7BrO2
3-CHLORO-4-FLUOROCINNAMIC ACID 3-CHLORO-4-FLUOROCINNAMIC ACID 155814-22-5 C9H6ClFO2
3,5-DIFLUOROCINNAMIC ACID 3,5-DIFLUOROCINNAMIC ACID 147700-58-1 C9H6F2O2
1,3-DIBROMOACETONE 1,3-DIBROMOACETONE 816-39-7 C3H4Br2O
2-(Trifluoromethyl)cinnamic acid 2-(Trifluoromethyl)cinnamic acid 2062-26-2 C10H7F3O2
3-(Methylthio)hexanal 3-(Methylthio)hexanal 38433-74-8 C7H14OS
ISOPROPYL PHENYLACETATE ISOPROPYL PHENYLACETATE 4861-85-2 C11H14O2
HEPTYL BUTYRATE HEPTYL BUTYRATE 5870-93-9 C11H22O2
FEMA 2310 FEMA 2310 7492-67-3 C12H22O2
3-OCTYL ACETATE 3-OCTYL ACETATE 4864-61-3 C10H20O2
LINALYL FORMATE LINALYL FORMATE 115-99-1 C11H18O2
2,3,4-Trifluorocinnamic acid 2,3,4-Trifluorocinnamic acid 207742-85-6 C9H5F3O2
METHYL PHENYL DISULFIDE METHYL PHENYL DISULFIDE 14173-25-2 C7H8S2
DIHYDO-ALPHA-IONONE DIHYDO-ALPHA-IONONE 31499-72-6 C13H22O
SAFRANAL SAFRANAL 116-26-7 C10H14O
3,4,5-TRITHIAHEPTANE 3,4,5-TRITHIAHEPTANE 3600-24-6 C4H10S3
OCTAHYDROCOUMARIN OCTAHYDROCOUMARIN 4430-31-3 C9H14O2
3-(2-Methyl-3-furylthio)-4-heptanone 3-(2-Methyl-3-furylthio)-4-heptanone 61295-41-8 C12H18O2S
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane (E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane 94089-21-1 C9H16O2
Florazone Florazone 67634-15-5 C13H18O
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