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
ALPHA-AMYLCINNAMYL ALCOHOL ALPHA-AMYLCINNAMYL ALCOHOL 101-85-9 C14H20O
ANISYL FORMATE ANISYL FORMATE 122-91-8 C9H10O3
4-Hydroxycinnamic acid 4-Hydroxycinnamic acid 7400-08-0 C9H8O3
IRONE IRONE 79-69-6 C14H22O
TRANS-2-UNDECEN-1-OL TRANS-2-UNDECEN-1-OL 37617-03-1 C11H22O
5-METHYL-2-(METHYLTHIO)FURAN 5-METHYL-2-(METHYLTHIO)FURAN 13678-59-6 C6H8OS
ISOMENTHONE ISOMENTHONE 491-07-6 C10H18O
METHYL 2-METHYLPENTANOATE METHYL 2-METHYLPENTANOATE 2177-77-7 C7H14O2
Caprylic acid methyl ester Caprylic acid methyl ester 111-11-5 C9H18O2
4-Formylcinnamic acid 4-Formylcinnamic acid 23359-08-2 C10H8O3
METHYL PHENYL DISULFIDE METHYL PHENYL DISULFIDE 14173-25-2 C7H8S2
SAFRANAL SAFRANAL 116-26-7 C10H14O
ISOPROPYL PHENYLACETATE ISOPROPYL PHENYLACETATE 4861-85-2 C11H14O2
ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL 6290-17-1 C9H16O4
(2E,4E)-2,4-Octadienal (2E,4E)-2,4-Octadienal 30361-28-5 C8H12O
HEPTYL BUTYRATE HEPTYL BUTYRATE 5870-93-9 C11H22O2
LINALYL FORMATE LINALYL FORMATE 115-99-1 C11H18O2
2,3,4-Trifluorocinnamic acid 2,3,4-Trifluorocinnamic acid 207742-85-6 C9H5F3O2
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
FEMA 2310 FEMA 2310 7492-67-3 C12H22O2
3-OCTYL ACETATE 3-OCTYL ACETATE 4864-61-3 C10H20O2
DIHYDO-ALPHA-IONONE DIHYDO-ALPHA-IONONE 31499-72-6 C13H22O
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
2-FURFURYLTHIO-3-METHYLPYRAZINE 2-FURFURYLTHIO-3-METHYLPYRAZINE 59303-07-0 C10H10N2OS
4-METHYLPHENYLACETONE 4-METHYLPHENYLACETONE 2096-86-8 C10H12O
TRANS-2-DECENAL TRANS-2-DECENAL 3913-71-1 C10H18O
IsoaMyl 4-MethoxycinnaMate IsoaMyl 4-MethoxycinnaMate 71617-10-2 C15H20O3
HEXYL ISOVALERATE  STANDARD FOR GC HEXYL ISOVALERATE STANDARD FOR GC 10032-13-0 C11H22O2
(+)-DIHYDROCARVEOL  MIXTURE OF ISOMERS (+)-DIHYDROCARVEOL MIXTURE OF ISOMERS 22567-21-1 C10H18O
Ethyl 4-bromomethylcinnamate Ethyl 4-bromomethylcinnamate 60682-98-6 C12H13BrO2
ETHYL TRANS-2-OCTENOATE ETHYL TRANS-2-OCTENOATE 2351-90-8 C10H18O2
Menthyl lactate Menthyl lactate 17162-29-7 C13H24O3
ALPHA-CYANOCINNAMIC ACID ALPHA-CYANOCINNAMIC ACID 1011-92-3 C10H7NO2
4,4'-DIBROMOBENZIL 4,4'-DIBROMOBENZIL 35578-47-3 C14H8Br2O2
3-MERCAPTO-2-METHYLPENTANAL 3-MERCAPTO-2-METHYLPENTANAL 227456-28-2 C6H12OS
1-ETHOXY-1-(3,7-DIMETHYL-1,6-OCTADIEN-3-YLOXY)ETHANE 1-ETHOXY-1-(3,7-DIMETHYL-1,6-OCTADIEN-3-YLOXY)ETHANE 40910-49-4 C14H26O2
(+/-)-2-ISOPROPENYL-5-METHYL-4-HEXEN-1-YL ACETATE (+/-)-2-ISOPROPENYL-5-METHYL-4-HEXEN-1-YL ACETATE 50373-59-6 C12H20O2
3-Mercaptohexyl hexanoate 3-Mercaptohexyl hexanoate 136954-22-8 C12H24O2S
ALPHA-CYANO-3-HYDROXYCINNAMIC ACID ALPHA-CYANO-3-HYDROXYCINNAMIC ACID 54673-07-3 C10H7NO3
SANTALYL ACETATE SANTALYL ACETATE 1323-00-8 C17H26O2
2,6-DICHLOROCINNAMIC ACID 2,6-DICHLOROCINNAMIC ACID 5345-89-1 C9H6Cl2O2
3-Cyanocinnamic acid 3-Cyanocinnamic acid 16642-93-6 C10H7NO2
Phenylethyl Anthranilate Phenylethyl Anthranilate 133-18-6 C15H15NO2
FEMA 3082 FEMA 3082 7774-82-5 C13H24O
DL-MALIC ACID DIETHYL ESTER DL-MALIC ACID DIETHYL ESTER 626-11-9 C8H14O5
FEMA 2961 FEMA 2961 32665-23-9 C8H16O2
ETHYL PROPYL DISULFIDE ETHYL PROPYL DISULFIDE 30453-31-7 C5H12S2
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE (E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE 24720-09-0 C13H20O
4-METHYL-5-ACETYL THIAZOLE 4-METHYL-5-ACETYL THIAZOLE 38205-55-9 C6H7NOS
Alpha-Damascone Alpha-Damascone 43052-87-5 C13H20O
2-methylbutyl butyrate 2-methylbutyl butyrate 51115-64-1 C9H18O2
12-Methyltridecanal 12-Methyltridecanal 75853-49-5 C14H28O
3-Chlorocinnamaldehyde 3-Chlorocinnamaldehyde 56578-37-1 C9H7ClO
FEMA 2774 FEMA 2774 999-40-6 C14H24O2
HEPTYL CAPRYLATE HEPTYL CAPRYLATE 4265-97-8 C15H30O2
1,1-Dimethoxydecane 1,1-Dimethoxydecane 7779-41-1 C12H26O2
FEMA 2368 FEMA 2368 5454-09-1 C14H28O2
3-(ACETYLTHIO)HEXYL ACETATE 3-(ACETYLTHIO)HEXYL ACETATE 136954-25-1 C10H18O3S
3-CHLOROPHENYLACETONE 3-CHLOROPHENYLACETONE 14123-60-5 C9H9ClO
Methyl geranate Methyl geranate 1189-09-9 C11H18O2
POLY(ISOBUTYL ACRYLATE) POLY(ISOBUTYL ACRYLATE) 26335-74-0 C7H12O2
FEMA 3457 FEMA 3457 5421-17-0 C14H20O2
5-BROMO-2-FLUOROCINNAMIC ACID 5-BROMO-2-FLUOROCINNAMIC ACID 202865-71-2 C9H6BrFO2
CIVETONE CIVETONE 542-46-1 C17H30O
3-BENZOYLACRYLIC ACID 3-BENZOYLACRYLIC ACID 583-06-2 C10H8O3
ALLYL 2-ETHYLBUTYRATE ALLYL 2-ETHYLBUTYRATE 7493-69-8 C9H16O2
FEMA 2888 FEMA 2888 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
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