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
4-HEXEN-3-ONE 4-HEXEN-3-ONE 2497-21-4 C6H10O
3-BROMOCINNAMIC ACID 3-BROMOCINNAMIC ACID 14473-91-7 C9H7BrO2
2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL 2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL 65887-08-3 C11H12OS
Bornyl acetate Bornyl acetate 76-49-3 C12H20O2
3-(5-METHYL-2-FURYL)BUTYRALDEHYDE 3-(5-METHYL-2-FURYL)BUTYRALDEHYDE 31704-80-0 C9H12O2
PHENETHYL SALICYLATE PHENETHYL SALICYLATE 87-22-9 C15H14O3
TRANS-2-DODECEN-1-OL TRANS-2-DODECEN-1-OL 22104-81-0 C12H24O
Methyl propyl trisulfide Methyl propyl trisulfide 17619-36-2 C4H10S3
3-(2-THIENYL)ACRYLIC ACID  98 3-(2-THIENYL)ACRYLIC ACID 98 15690-25-2 C7H6O2S
ISOPULEGOL, TECH. ISOPULEGOL, TECH. 7786-67-6 C10H18O
4'-Bromo-3'-nitroacetophenone 4'-Bromo-3'-nitroacetophenone 18640-58-9 C8H6BrNO3
Allyl cyclohexyloxyacetate Allyl cyclohexyloxyacetate 68901-15-5 C11H18O3
HEPTANAL DIMETHYL ACETAL HEPTANAL DIMETHYL ACETAL 10032-05-0 C9H20O2
PHANTOLIDE PHANTOLIDE 15323-35-0 C17H24O
ALLYL ISOVALERATE ALLYL ISOVALERATE 2835-39-4 C8H14O2
Precyclemone B Precyclemone B 52474-60-9 C14H22O
Dihydromyrcenol Dihydromyrcenol 53219-21-9 C10H20O
LINALYL CINNAMATE LINALYL CINNAMATE 78-37-5 C19H24O2
NERYL ISOBUTYRATE NERYL ISOBUTYRATE 2345-24-6 C14H24O2
OCTYL FORMATE OCTYL FORMATE 112-32-3 C9H18O2
(+)-DIHYDROCARVONE (+)-DIHYDROCARVONE 7764-50-3 C10H16O
(E)-3,7-Dimethylocta-2,6-diene-1-thiol (E)-3,7-Dimethylocta-2,6-diene-1-thiol 39067-80-6 C10H18S
1-(Methylthio)-2-butanone 1-(Methylthio)-2-butanone 13678-58-5 C5H10OS
Bornyl isovalerate Bornyl isovalerate 76-50-6 C15H26O2
3,4-(Methylenedioxy)cinnamic acid 3,4-(Methylenedioxy)cinnamic acid 2373-80-0 C10H8O4
4-Bromo-2-fluorocinnamic acid 4-Bromo-2-fluorocinnamic acid 149947-19-3 C9H6BrFO2
N-CAPRYLIC ACID ISOBUTYL ESTER N-CAPRYLIC ACID ISOBUTYL ESTER 5461-06-3 C12H24O2
ISOAMYL 3-(2-FURAN)PROPIONATE ISOAMYL 3-(2-FURAN)PROPIONATE 7779-67-1 C12H18O3
11-Oxahexadecan-16-olide 11-Oxahexadecan-16-olide 3391-83-1 C15H28O3
Menthone 1,2-glycerol ketal Menthone 1,2-glycerol ketal 63187-91-7 C13H24O3
ISOBUTYL TIGLATE ISOBUTYL TIGLATE 61692-84-0 C9H16O2
GERANYL ISOBUTYRATE GERANYL ISOBUTYRATE 2345-26-8 C14H24O2
MUSK TIBETEN MUSK TIBETEN 145-39-1 C13H18N2O4
CYCLOPENTYL PHENYL KETONE CYCLOPENTYL PHENYL KETONE 5422-88-8 C12H14O
Propyl heptanoate Propyl heptanoate 7778-87-2 C10H20O2
TETRAHYDROFURFURYL BUTYRATE TETRAHYDROFURFURYL BUTYRATE 2217-33-6 C9H16O3
2,5-Dimethoxycinnamic acid 2,5-Dimethoxycinnamic acid 10538-51-9 C11H12O4
Ethyl 4-aminocinnamate Ethyl 4-aminocinnamate 5048-82-8 C11H13NO2
METHYL 3-(FURFURYLTHIO)PROPIONATE METHYL 3-(FURFURYLTHIO)PROPIONATE 94278-26-9 C9H12O3S
(E)-BETA-FARNESENE (E)-BETA-FARNESENE 18794-84-8 C15H24
(-)-CARVEOL (-)-CARVEOL 2102-59-2 C10H16O
Ethyl linalool Ethyl linalool 10339-55-6 C11H20O
OCTYL ISOBUTYRATE OCTYL ISOBUTYRATE 109-15-9 C12H24O2
RHODINYL ACETATE RHODINYL ACETATE 141-11-7 C12H22O2
8,8-Dimethoxy-2,6-dimethyloctan-2-ol 8,8-Dimethoxy-2,6-dimethyloctan-2-ol 141-92-4 C12H26O3
L-Menthyl lactate L-Menthyl lactate 61597-98-6 C13H24O3
2-Undecenal 2-Undecenal 2463-77-6 C11H20O
Triisobutyldihydrodithiazine Triisobutyldihydrodithiazine 74595-94-1 C15H31NS2
FEMA 3346 FEMA 3346 623-19-8 C8H10O3
4-CHLORO-2-FLUOROCINNAMIC ACID 4-CHLORO-2-FLUOROCINNAMIC ACID 202982-65-8 C9H6ClFO2
MYRISTIC ACID ISOBUTYL ESTER MYRISTIC ACID ISOBUTYL ESTER 25263-97-2 C18H36O2
ISOCYCLOCITRAL ISOCYCLOCITRAL 1335-66-6 C20H32O2
p-Menthene-8-thiol p-Menthene-8-thiol 71159-90-5 C10H18S
Methyl hex-3-enoate Methyl hex-3-enoate 2396-78-3 C7H12O2
BUTYL UNDECYLENATE BUTYL UNDECYLENATE 109-42-2 C15H28O2
ALLYL CAPRYLATE ALLYL CAPRYLATE 4230-97-1 C11H20O2
2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL 103694-68-4 C12H18O
FEMA 3710 FEMA 3710 13481-87-3 C10H18O2
3-PHENYLBUTYRALDEHYDE 3-PHENYLBUTYRALDEHYDE 16251-77-7 C10H12O
(+)-PULEGONE (+)-PULEGONE 89-82-7 C10H16O
ISOAMYL SALICYLATE ISOAMYL SALICYLATE 34377-38-3 C12H16O3
2-Methoxy-6-isopropylpyrazine 2-Methoxy-6-isopropylpyrazine 93905-03-4 C8H12N2O
3-(TRIFLUOROMETHOXY)CINNAMIC ACID 3-(TRIFLUOROMETHOXY)CINNAMIC ACID 168833-80-5 C10H7F3O3
GERANYL PHENYLACETATE GERANYL PHENYLACETATE 102-22-7 C18H24O2
Furfuryl pentanoate Furfuryl pentanoate 36701-01-6 C10H14O3
Celery ketone Celery ketone 3720-16-9 C10H16O
DELTA-DODECANOLACTONE DELTA-DODECANOLACTONE 16429-21-3 C12H22O2
3-Methyl-2-buten-1-thiol 3-Methyl-2-buten-1-thiol 5287-45-6 C5H10S
ANGELIC ACID ISOAMYL ESTER ANGELIC ACID ISOAMYL ESTER 10482-55-0 C10H18O2
HYDROXYCITRONELLOL HYDROXYCITRONELLOL 107-74-4 C10H22O2
trans-3,4-Difluorocinnamic acid trans-3,4-Difluorocinnamic acid 112897-97-9 C9H6F2O2
4-METHYL-2-PHENYL-2-PENTENAL 4-METHYL-2-PHENYL-2-PENTENAL 26643-91-4 C12H14O
FEMA 2302 FEMA 2302 140-27-2 C14H18O2
6-ISOBUTYLQUINOLINE 6-ISOBUTYLQUINOLINE 68141-26-4 C13H15N
Dipropyl trisulfide Dipropyl trisulfide 6028-61-1 C6H14S3
ETHYL TRANS-4-DECENOATE ETHYL TRANS-4-DECENOATE 76649-16-6 C12H22O2
CINNAMYL FORMATE CINNAMYL FORMATE 104-65-4 C10H10O2
2-Methoxycinnamic acid 2-Methoxycinnamic acid 6099-03-2 C10H10O3
LINALYL ISOBUTYRATE LINALYL ISOBUTYRATE 78-35-3 C14H24O2
Ethyl 4-methoxycinnamate Ethyl 4-methoxycinnamate 24393-56-4 C12H14O3
3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE 3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE 4883-60-7 C9H14O2
3,5-Dimethyl-1,2-cyclopentanedione 3,5-Dimethyl-1,2-cyclopentanedione 13494-07-0 C7H10O2
ALLYL SORBATE ALLYL SORBATE 7493-75-6 C9H12O2
4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE 4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE 76788-46-0 C7H13NS
P-METHYLPHENYLACETALDEHYDE P-METHYLPHENYLACETALDEHYDE 104-09-6 C9H10O
trans-p-Methoxycinnamaldehyde trans-p-Methoxycinnamaldehyde 24680-50-0 C10H10O2
Isolongifolone Isolongifolone 23787-90-8 C15H24O
2-TERT-BUTYLCYCLOHEXANOL 2-TERT-BUTYLCYCLOHEXANOL 13491-79-7 C10H20O
TRANS-2,5-DIFLUOROCINNAMIC ACID TRANS-2,5-DIFLUOROCINNAMIC ACID 112898-33-6 C9H6F2O2
ISOBUTYL ANGELATE ISOBUTYL ANGELATE 7779-81-9 C9H16O2
PHENOXYETHYL PROPIONATE PHENOXYETHYL PROPIONATE 23495-12-7 C11H14O3
4-Chlorophenylacetone 4-Chlorophenylacetone 5586-88-9 C9H9ClO
ALLYL PROPIONATE ALLYL PROPIONATE 2408-20-0 C6H10O2
3-Hydroxyhexanoic Acid Methyl Ester 3-Hydroxyhexanoic Acid Methyl Ester 21188-58-9 C7H14O3
4-Hydroxyphenylacetone 4-Hydroxyphenylacetone 770-39-8 C9H10O2
3,4-Dichlorocinnamic acid 3,4-Dichlorocinnamic acid 1202-39-7 C9H6Cl2O2
L-BORNYL ACETATE L-BORNYL ACETATE 20347-65-3 C12H20O2
ISOBUTYL VINYLACETATE ISOBUTYL VINYLACETATE 24342-03-8 C8H14O2
METHYL 4-CHLOROCINNAMATE METHYL 4-CHLOROCINNAMATE 7560-44-3 C10H9ClO2
3,5-DIMETHOXYCINNAMIC ACID 3,5-DIMETHOXYCINNAMIC ACID 16909-11-8 C11H12O4
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