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
CEDRENE, (-)-alpha-(SG) CEDRENE, (-)-alpha-(SG)
Strawberry flavour Strawberry flavour
2-PIPERIDINOL 2-PIPERIDINOL 45506-41-0 C5H11NO
Methyl 3-(1,3-benzodioxol-5-yl)oxirane-2-carboxylate Methyl 3-(1,3-benzodioxol-5-yl)oxirane-2-carboxylate 39829-16-8 C11H10O5
Diethyl(phenylacetyl)malonate Diethyl(phenylacetyl)malonate 20320-59-6 C15H18O5
Benyl propionic methyl ester Benyl propionic methyl ester 29417-83-2 C11H14O2
(S)-3-N-Boc-aminopiperidine (S)-3-N-Boc-aminopiperidine 216854-23-8 C10H20N2O2
CEDRENE CEDRENE 11028-42-5 C15H24
Cedrenol Cedrenol 28231-03-0 C15H24O
(-)-ALPHA-CEDRENE (-)-ALPHA-CEDRENE 469-61-4 C15H24
1-Methyl-2-pyrrolidineethanol 1-Methyl-2-pyrrolidineethanol 67004-64-2 C7H15NO
2-BROMOCINNAMALDEHYDE 2-BROMOCINNAMALDEHYDE 138555-58-5 C9H7BrO
Pmk glycidate Pmk glycidate 13605-48-6 C12H12O5
3-MORPHOLINONE, 4-[4-[(5S)-5-(AMINOMETHYL)-2-OXO-3-OXAZOLIDINYL]PHENYL]- 3-MORPHOLINONE, 4-[4-[(5S)-5-(AMINOMETHYL)-2-OXO-3-OXAZOLIDINYL]PHENYL]- 446292-10-0 C14H17N3O4
N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol 101469-92-5 C9H17NO3
(+)-DELTA-CADINENE (+)-DELTA-CADINENE 483-76-1 C15H24
7-Fluoro-imidazo[1,2-a]pyridine 7-Fluoro-imidazo[1,2-a]pyridine 1260903-17-0 C7H5FN2
2,2,6,6-Tetramethylpiperidine 2,2,6,6-Tetramethylpiperidine 768-66-1 C9H19N
4-Hydroxypiperidine 4-Hydroxypiperidine 5382-16-1 C5H11NO
LINALYL PROPIONATE LINALYL PROPIONATE 144-39-8 C13H22O2
BUTYL HEPTANOATE BUTYL HEPTANOATE 5454-28-4 C11H22O2
4-tert-Butyl-2,6-dinitro-3-methoxytoluene 4-tert-Butyl-2,6-dinitro-3-methoxytoluene 83-66-9 C12H16N2O5
6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN 6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN 21145-77-7 C18H26O
(-)-MYRTENAL (-)-MYRTENAL 18486-69-6 C10H14O
6-METHYL-5-HEPTEN-2-OL 6-METHYL-5-HEPTEN-2-OL 1335-09-7 C8H16O
BOURGEONAL BOURGEONAL 18127-01-0 C13H18O
Geranyl tiglate Geranyl tiglate 7785-33-3 C15H24O2
METHYL 2-BROMOOCTANOATE METHYL 2-BROMOOCTANOATE 5445-22-7 C9H17BrO2
Isopropyl tiglate Isopropyl tiglate 1733-25-1 C8H14O2
TETRAHYDROMYRCENOL TETRAHYDROMYRCENOL 18479-57-7 C10H22O
FEMA 3632 FEMA 3632 24817-51-4 C13H18O2
Cinnamic acid Cinnamic acid 621-82-9 C9H8O2
N,N-Dimethylpiperidin-4-amine N,N-Dimethylpiperidin-4-amine 50533-97-6 C7H16N2
HEXYL TIGLATE HEXYL TIGLATE 16930-96-4 C11H20O2
1-PENTANOL, 3-METHYL-5-PHENYL 1-PENTANOL, 3-METHYL-5-PHENYL 55066-48-3 C12H18O
Methylthiomethyl butyrate Methylthiomethyl butyrate 74758-93-3 C6H12O2S
2-Phenylpropyl acetate 2-Phenylpropyl acetate 10402-52-5 C11H14O2
FEMA 3354 FEMA 3354 19089-92-0 C10H18O2
2-PHENYL-2-BUTENAL 2-PHENYL-2-BUTENAL 4411-89-6 C10H10O
2-Methoxy-3-methylpyrazine 2-Methoxy-3-methylpyrazine 63450-30-6 C6H8N2O
Rum Ether Rum Ether 8030-89-5 C2 H6 O.unspecified
trans-2,4,5-Trimethoxycinnamic acid trans-2,4,5-Trimethoxycinnamic acid 24160-53-0 C12H14O5
CITRONELLYL FORMATE CITRONELLYL FORMATE 105-85-1 C11H20O2
2-Methylthioacetaldehyde 2-Methylthioacetaldehyde 23328-62-3 C3H6OS
4-((2-Furylmethyl)thio)-4-methylpentan-2-one 4-((2-Furylmethyl)thio)-4-methylpentan-2-one 64835-96-7 C11H16O2S
5-BROMO-1H-PYRAZO[3,4-B]PYRIDINE 5-BROMO-1H-PYRAZO[3,4-B]PYRIDINE 875781-17-2 C6H4BrN3
4-Cyanocinnamic acid 4-Cyanocinnamic acid 18664-39-6 C10H7NO2
1-ACETYLPIPERIDIN-4-OL 1-ACETYLPIPERIDIN-4-OL 4045-22-1 C7H13NO2
3-Mercaptohexyl acetate 3-Mercaptohexyl acetate 136954-20-6 C8H16O2S
2-BROMO-4-CHLOROBENZOTHIAZOLE 2-BROMO-4-CHLOROBENZOTHIAZOLE 3622-40-0 C7H3BrClNS
2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E) 2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E) 56578-35-9 C10H10O
morpholin-3-one morpholin-3-one 109-11-5 C4H7NO2
3-Benzoylthio-2-Methylpropionicacid 3-Benzoylthio-2-Methylpropionicacid C11H12O3S
2-PROPENAL, 3-(3-METHYLPHENYL)-,(2E) 2-PROPENAL, 3-(3-METHYLPHENYL)-,(2E) 93614-80-3 C10H10O
(-)-DIHYDROCARVYL ACETATE (-)-DIHYDROCARVYL ACETATE 20777-49-5 C12H20O2
2-Naphthylacrylic acid 2-Naphthylacrylic acid 51557-26-7 C13H10O2
(-)-CARVYL PROPIONATE (-)-CARVYL PROPIONATE 97-45-0 C13H20O2
FEMA 2860 FEMA 2860 94-47-3 C15H14O2
3-((2-Mercapto-1-methylpropyl)thio)-2-butanol 3-((2-Mercapto-1-methylpropyl)thio)-2-butanol 54957-02-7 C8H18OS2
Isobornyl propanoate Isobornyl propanoate 2756-56-1 C13H22O2
LINALYL BENZOATE LINALYL BENZOATE 126-64-7 C17H22O2
PHENETHYL SALICYLATE PHENETHYL SALICYLATE 87-22-9 C15H14O3
3-(5-METHYL-2-FURYL)BUTYRALDEHYDE 3-(5-METHYL-2-FURYL)BUTYRALDEHYDE 31704-80-0 C9H12O2
Bornyl acetate Bornyl acetate 76-49-3 C12H20O2
2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL 2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL 65887-08-3 C11H12OS
4-HEXEN-3-ONE 4-HEXEN-3-ONE 2497-21-4 C6H10O
3-BROMOCINNAMIC ACID 3-BROMOCINNAMIC ACID 14473-91-7 C9H7BrO2
Allyl cyclohexyloxyacetate Allyl cyclohexyloxyacetate 68901-15-5 C11H18O3
HEPTANAL DIMETHYL ACETAL HEPTANAL DIMETHYL ACETAL 10032-05-0 C9H20O2
4'-BROMO-3'-NITROACETOPHENONE 4'-BROMO-3'-NITROACETOPHENONE 18640-58-9 C8H6BrNO3
3-(2-THIENYL)ACRYLIC ACID  98 3-(2-THIENYL)ACRYLIC ACID 98 15690-25-2 C7H6O2S
ISOPULEGOL, TECH. ISOPULEGOL, TECH. 7786-67-6 C10H18O
TRANS-2-DODECEN-1-OL TRANS-2-DODECEN-1-OL 22104-81-0 C12H24O
Methyl propyl trisulfide Methyl propyl trisulfide 17619-36-2 C4H10S3
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
Precyclemone B Precyclemone B 52474-60-9 C14H22O
PHANTOLIDE PHANTOLIDE 15323-35-0 C17H24O
ALLYL ISOVALERATE ALLYL ISOVALERATE 2835-39-4 C8H14O2
Dihydromyrcenol Dihydromyrcenol 53219-21-9 C10H20O
LINALYL CINNAMATE LINALYL CINNAMATE 78-37-5 C19H24O2
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
(-)-CARVEOL (-)-CARVEOL 2102-59-2 C10H16O
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