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
Ethyl nonanoate Ethyl nonanoate 123-29-5 C11H22O2
1,8-Cineole 1,8-Cineole 470-82-6 C10H18O
Isobutyl formate Isobutyl formate 542-55-2 C5H10O2
2-Ethylhexyl acetate 2-Ethylhexyl acetate 103-09-3 C10H20O2
Phenylacetic acid isobutyl ester Phenylacetic acid isobutyl ester 102-13-6 C12H16O2
4-Methylbenzyl alcohol 4-Methylbenzyl alcohol 589-18-4 C8H10O
4-ISOPROPYLBENZYL ALCOHOL 4-ISOPROPYLBENZYL ALCOHOL 536-60-7 C10H14O
2,3-Pyrazinedicarboxylic acid 2,3-Pyrazinedicarboxylic acid 89-01-0 C6H4N2O4
GERANYL PROPIONATE GERANYL PROPIONATE 105-90-8 C13H22O2
1-Nonanal 1-Nonanal 124-19-6 C9H18O
trans-2-Hexenyl acetate trans-2-Hexenyl acetate 2497-18-9 C8H14O2
Dimeric mercapto propanone Dimeric mercapto propanone 55704-78-4 C6H12O2S2
3-(Methylthio)butanal 3-(Methylthio)butanal 16630-52-7 C5H10OS
2-Acetyl-3,5-dimethylpyrazine 2-Acetyl-3,5-dimethylpyrazine 54300-08-2 C8H10N2O
Isolongifolene Isolongifolene 1135-66-6 C15H24
Cyclopentadecanone Cyclopentadecanone 502-72-7 C15H28O
2-Furfurylthio-3-methylpyrazine 2-Furfurylthio-3-methylpyrazine 65530-53-2 C10H10N2OS
Isobutyl butyrate Isobutyl butyrate 539-90-2 C8H16O2
DODECYL ACETATE DODECYL ACETATE 112-66-3 C14H28O2
2,5-Dimethylthiazole 2,5-Dimethylthiazole 4175-66-0 C5H7NS
cis-3-Hexenyl Acetate cis-3-Hexenyl Acetate 3681-71-8 C8H14O2
Dimedone Dimedone 126-81-8 C8H12O2
Methyl 2-(methylamino)benzoate Methyl 2-(methylamino)benzoate 85-91-6 C9H11NO2
2,3-Dichloropyrazine 2,3-Dichloropyrazine 4858-85-9 C4H2Cl2N2
Methyl butyrate Methyl butyrate 623-42-7 C5H10O2
Hexyl isobutyrate Hexyl isobutyrate 2349-07-7 C10H20O2
PHENYLACETALDEHYDE DIMETHYL ACETAL PHENYLACETALDEHYDE DIMETHYL ACETAL 101-48-4 C10H14O2
Ethyl tiglate Ethyl tiglate 5837-78-5 C7H12O2
Furfuryl thioacetate Furfuryl thioacetate 13678-68-7 C7H8O2S
2-Mercapto-3-butanol 2-Mercapto-3-butanol 37887-04-0 C4H10OS
Phenethyl isobutyrate Phenethyl isobutyrate 103-48-0 C12H16O2
Citronellyl acetate Citronellyl acetate 150-84-5 C12H22O2
Terpinyl acetate Terpinyl acetate 80-26-2 C12H20O2
Propyl 2-methyl-3-furyl disulfide Propyl 2-methyl-3-furyl disulfide 61197-09-9 C8H12OS2
TRANS-2-HEXENAL TRANS-2-HEXENAL 6728-26-3 C6H10O
Isopentyl formate Isopentyl formate 110-45-2 C6H12O2
Butyl salicylate Butyl salicylate 2052-14-4 C11H14O3
2-Acetyl-3-ethylpyrazine 2-Acetyl-3-ethylpyrazine 32974-92-8 C8H10N2O
P-TOLYL ACETATE P-TOLYL ACETATE 140-39-6 C9H10O2
Methyl allyl disulfide Methyl allyl disulfide 2179-58-0 C4H8S2
2,3-HEXANEDIONE 2,3-HEXANEDIONE 3848-24-6 C6H10O2
3-Methylindole 3-Methylindole 83-34-1 C9H9N
cis-3-Hexenyl tiglate cis-3-Hexenyl tiglate 67883-79-8 C11H18O2
Dibenzyl disulfide Dibenzyl disulfide 150-60-7 C14H14S2
3,7-Dimethyl-2,6-octadienenitrile 3,7-Dimethyl-2,6-octadienenitrile 5146-66-7 C10H15N
Diallyl trisulfide Diallyl trisulfide 2050-87-5 C6H10S3
(-)-FENCHONE (-)-FENCHONE 7787-20-4 C10H16O
2-Methoxy-3-methylpyrazine 2-Methoxy-3-methylpyrazine 2847-30-5 C6H8N2O
Methyl 2-methoxybenzoate Methyl 2-methoxybenzoate 606-45-1 C9H10O3
4-Fluorocinnamaldehyde 4-Fluorocinnamaldehyde 24654-55-5 C9H7FO
Methyl Cedryl Ketone Methyl Cedryl Ketone 32388-55-9 C17H26O
Ethyl 3-(furfurylthio)propionate Ethyl 3-(furfurylthio)propionate 94278-27-0 C10H14O3S
4-Methoxy-2,5-dimethyl-3(2H)-furanone 4-Methoxy-2,5-dimethyl-3(2H)-furanone 4077-47-8 C7H10O3
HEXYL FORMATE HEXYL FORMATE 629-33-4 C7H14O2
Linalyl acetate Linalyl acetate 115-95-7 C12H20O2
Bis(methylthio)methane Bis(methylthio)methane 1618-26-4 C3H8S2
Benzyl mercaptan Benzyl mercaptan 100-53-8 C7H8S
FEMA 2296 FEMA 2296 103-61-7 C13H16O2
Methyl anthranilate Methyl anthranilate 134-20-3 C8H9NO2
5-Methyl furfural 5-Methyl furfural 620-02-0 C6H6O2
Dibutyl sulfide Dibutyl sulfide 544-40-1 C8H18S
2-PHENYLPROPIONALDEHYDE 2-PHENYLPROPIONALDEHYDE 93-53-8 C9H10O
Isopentyl phenylacetate Isopentyl phenylacetate 102-19-2 C13H18O2
3,4-Dimethoxycinnamic acid 3,4-Dimethoxycinnamic acid 2316-26-9 C11H12O4
Methyl cyclopentenolone Methyl cyclopentenolone 80-71-7 C6H8O2
4'-Methoxyacetophenone 4'-Methoxyacetophenone 100-06-1 C9H10O2
delta-Nonalactone delta-Nonalactone 3301-94-8 C9H16O2
BENZYL PHENYLACETATE BENZYL PHENYLACETATE 102-16-9 C15H14O2
Piperonylonitrile Piperonylonitrile 4421-09-4 C8H5NO2
Cedrol Cedrol 77-53-2 C15H26O
Caproic acid propyl ester Caproic acid propyl ester 626-77-7 C9H18O2
Butyl isobutyrate Butyl isobutyrate 97-87-0 C8H16O2
2-(METHYLTHIO)ETHANOL 2-(METHYLTHIO)ETHANOL 5271-38-5 C3H8OS
Dodecyl aldehyde Dodecyl aldehyde 112-54-9 C12H24O
4-Methylbenzyl acetate 4-Methylbenzyl acetate 2216-45-7 C10H12O2
3-HEPTANOL 3-HEPTANOL 589-82-2 C7H16O
Furaneol Furaneol 3658-77-3 C6H8O3
1,6-Hexanedithiol 1,6-Hexanedithiol 1191-43-1 C6H14S2
Methyl propyl disulfide Methyl propyl disulfide 2179-60-4 C4H10S2
ETHYL ANTHRANILATE ETHYL ANTHRANILATE 87-25-2 C9H11NO2
Acetylpyrazine Acetylpyrazine 22047-25-2 C6H6N2O
gamma-Decalactone gamma-Decalactone 706-14-9 C10H18O2
Hendecanoic acid Hendecanoic acid 112-37-8 C11H22O2
Diisobutylcarbinol Diisobutylcarbinol 108-82-7 C9H20O
Isobutyl isovalerate Isobutyl isovalerate 589-59-3 C9H18O2
DI-N-HEXYL SULFIDE DI-N-HEXYL SULFIDE 6294-31-1 C12H26S
Pyrazinecarbonitrile Pyrazinecarbonitrile 19847-12-2 C5H3N3
Methyl phenylacetate Methyl phenylacetate 101-41-7 C9H10O2
2-(Methylthio)pyrazine 2-(Methylthio)pyrazine 21948-70-9 C5H6N2S
ETHYL 3-HYDROXYHEXANOATE ETHYL 3-HYDROXYHEXANOATE 2305-25-1 C8H16O3
Ethyl heptanoate Ethyl heptanoate 106-30-9 C9H18O2
Geranyl linalool Geranyl linalool 1113-21-9 C20H34O
cis-3-Hexenyl hexanoate cis-3-Hexenyl hexanoate 31501-11-8 C12H22O2
ISOPROPYL BUTYRATE ISOPROPYL BUTYRATE 638-11-9 C7H14O2
Methyl 3-methylthiopropionate Methyl 3-methylthiopropionate 13532-18-8 C5H10O2S
Dimethyl trisulfide Dimethyl trisulfide 3658-80-8 C2H6S3
PHENETHYL FORMATE PHENETHYL FORMATE 104-62-1 C9H10O2
Ethyl 3-hydroxybutyrate Ethyl 3-hydroxybutyrate 5405-41-4 C6H12O3
2-PHENYLETHYL PROPIONATE 2-PHENYLETHYL PROPIONATE 122-70-3 C11H14O2
4-Methoxybenzyl alcohol 4-Methoxybenzyl alcohol 105-13-5 C8H10O2
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