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-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
BUTYL UNDECYLENATE BUTYL UNDECYLENATE 109-42-2 C15H28O2
Ethyl linalool Ethyl linalool 10339-55-6 C11H20O
OCTYL ISOBUTYRATE OCTYL ISOBUTYRATE 109-15-9 C12H24O2
2-Undecenal 2-Undecenal 2463-77-6 C11H20O
Triisobutyldihydrodithiazine Triisobutyldihydrodithiazine 74595-94-1 C15H31NS2
FEMA 3346 FEMA 3346 623-19-8 C8H10O3
L-Menthyl lactate L-Menthyl lactate 61597-98-6 C13H24O3
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
p-Menthene-8-thiol p-Menthene-8-thiol 71159-90-5 C10H18S
ISOCYCLOCITRAL ISOCYCLOCITRAL 1335-66-6 C20H32O2
3-PHENYLBUTYRALDEHYDE 3-PHENYLBUTYRALDEHYDE 16251-77-7 C10H12O
(+)-PULEGONE (+)-PULEGONE 89-82-7 C10H16O
2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL 103694-68-4 C12H18O
ALLYL CAPRYLATE ALLYL CAPRYLATE 4230-97-1 C11H20O2
FEMA 3710 FEMA 3710 13481-87-3 C10H18O2
ISOAMYL SALICYLATE ISOAMYL SALICYLATE 34377-38-3 C12H16O3
Methyl hex-3-enoate Methyl hex-3-enoate 2396-78-3 C7H12O2
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
4-ETHOXYCINNAMIC ACID 4-ETHOXYCINNAMIC ACID 2373-79-7 C11H12O3
6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL 6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL 35836-73-8 C11H18O
METHYL 4-CHLOROCINNAMATE METHYL 4-CHLOROCINNAMATE 7560-44-3 C10H9ClO2
3,5-DIMETHOXYCINNAMIC ACID 3,5-DIMETHOXYCINNAMIC ACID 16909-11-8 C11H12O4
3-METHYLCINNAMIC ACID 3-METHYLCINNAMIC ACID 3029-79-6 C10H10O2
VANILLIN PROPYLENE GLYCOL ACETAL VANILLIN PROPYLENE GLYCOL ACETAL 68527-74-2 C11H14O4
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
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
2,5-DICHLOROCINNAMIC ACID 2,5-DICHLOROCINNAMIC ACID 20595-47-5 C9H6Cl2O2
FEMA 2535 FEMA 2535 4112-89-4 C15H14O3
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
(2E,4E)-2,4-Decadien-1-ol (2E,4E)-2,4-Decadien-1-ol 18409-21-7 C10H18O
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