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
1-phenylpropyl butyrate 1-phenylpropyl butyrate 10031-86-4 C13H18O2
(decyloxy)acetaldehyde (decyloxy)acetaldehyde 72894-07-6 C12H24O2
3-Hydroxypiperidine 3-Hydroxypiperidine 6859-99-0 C5H11NO
(R)-3-Hydroxypyrrolidine (R)-3-Hydroxypyrrolidine 2799-21-5 C4H9NO
BENZALDEHYDE DIETHYL ACETAL BENZALDEHYDE DIETHYL ACETAL 774-48-1 C11H16O2
UNDECANAL DIMETHYL ACETAL UNDECANAL DIMETHYL ACETAL 52517-67-6 C13H28O2
4-Methylmorpholine N-oxide 4-Methylmorpholine N-oxide 7529-22-8 C5H11NO2
Pyrrolidine Hydriodide Pyrrolidine Hydriodide 45361-12-4 C4H10IN
ISOAMYL GERANATE ISOAMYL GERANATE 68133-73-3 C15H26O2
ALLYL SALICYLATE ALLYL SALICYLATE 10484-09-0 C10H10O3
(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl 898543-06-1 C14H17N3O4.ClH
LINALYL CAPRYLATE LINALYL CAPRYLATE 10024-64-3 C18H32O2
ortho-Methoxybenzaldehyde ortho-Methoxybenzaldehyde C8H8O2
CEDRENE, (-)-alpha-(SG) CEDRENE, (-)-alpha-(SG)
Strawberry flavour Strawberry flavour
5,9-DIMETHYL-8-DECEN-3-OL 5,9-DIMETHYL-8-DECEN-3-OL
3,7-DIMETHYL-1-OCTANOL ACETATE 3,7-DIMETHYL-1-OCTANOL ACETATE 20780-49-8 C12H24O2
FEMA 2310 FEMA 2310 C12H20O2
2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E) 2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E) 56578-35-9 C10H10O
6-METHYL-3-HEPTANOL 6-METHYL-3-HEPTANOL 18720-66-6 C8H18O
morpholin-3-one morpholin-3-one 109-11-5 C4H7NO2
ETHYL FURYL GLYCIDATE ETHYL FURYL GLYCIDATE C9H10O4
ALLYLVANILLIN ALLYLVANILLIN C11H12O3
(+/-)-LAVANDULOL (+/-)-LAVANDULOL 1845-51-8 C10H18O
1-(3-hydroxy-2-furyl)ethanone 1-(3-hydroxy-2-furyl)ethanone 3420-59-5 C6H6O3
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
ANISYL ISOBUTYRATE ANISYL ISOBUTYRATE C11H14O3
Tiglic aldehyde Tiglic aldehyde 1115-11-3 C5H8O
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
(+)-DELTA-CADINENE (+)-DELTA-CADINENE 483-76-1 C15H24
Versalide Versalide 88-29-9 C18H26O
N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol 101469-92-5 C9H17NO3
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
Pmk glycidate Pmk glycidate 13605-48-6 C12H12O5
2-BROMOCINNAMALDEHYDE 2-BROMOCINNAMALDEHYDE 138555-58-5 C9H7BrO
ETHYL CITRONELLATE ETHYL CITRONELLATE 26728-44-9 C12H22O2
1-Methyl-2-pyrrolidineethanol 1-Methyl-2-pyrrolidineethanol 67004-64-2 C7H15NO
METHYL PHENYLGLYCIDATE METHYL PHENYLGLYCIDATE 65209-65-6 C10H10O3
(-)-ALPHA-CEDRENE (-)-ALPHA-CEDRENE 469-61-4 C15H24
ZINGIBERENE ZINGIBERENE C15H24
Cedrenol Cedrenol 28231-03-0 C15H24O
CEDRENE CEDRENE 11028-42-5 C15H24
AMMONIUM ISOVALERATE AMMONIUM ISOVALERATE 7563-33-9 C5H13NO2
A-AMYL CINNAMIC ALDEHYDE DIETHYL ACETAL A-AMYL CINNAMIC ALDEHYDE DIETHYL ACETAL 60763-41-9 C18H28O2
(S)-3-N-Boc-aminopiperidine (S)-3-N-Boc-aminopiperidine 216854-23-8 C10H20N2O2
Benyl propionic methyl ester Benyl propionic methyl ester 29417-83-2 C11H14O2
Diethyl(phenylacetyl)malonate Diethyl(phenylacetyl)malonate 20320-59-6 C15H18O5
ISOAMYL UNDECYLENATE ISOAMYL UNDECYLENATE 12262-03-2 C16H30O2
2-Heptenal, 2-ethyl- 2-Heptenal, 2-ethyl- 10031-88-6 C9H16O
ALLYL-2-NONYLENATE ALLYL-2-NONYLENATE C12H19O2-
Methyl 3-(1,3-benzodioxol-5-yl)oxirane-2-carboxylate Methyl 3-(1,3-benzodioxol-5-yl)oxirane-2-carboxylate 39829-16-8 C11H10O5
2-PIPERIDINOL 2-PIPERIDINOL 45506-41-0 C5H11NO
Hydratropaldehyde propylene glycol acetal Hydratropaldehyde propylene glycol acetal C12H16O2
3PHENYLPROPYLBENZOATE 3PHENYLPROPYLBENZOATE 60045-26-3 C16H16O2
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
3,7-DIMETHYL-6-OCTENYL METHYL ACETAL 3,7-DIMETHYL-6-OCTENYL METHYL ACETAL 68039-24-7 C13H26O2
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
N-NONYL CAPROATE N-NONYL CAPROATE C15H30O2
2-Methylthioacetaldehyde 2-Methylthioacetaldehyde 23328-62-3 C3H6OS
4-allyl-2-ethoxyphenol 4-allyl-2-ethoxyphenol 1755-54-0 C11H14O2
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
3-(HYDROXYMETHYL)-2-OCTANONE 3-(HYDROXYMETHYL)-2-OCTANONE C9H18O2
4-Cyanocinnamic acid 4-Cyanocinnamic acid 18664-39-6 C10H7NO2
1-ACETYLPIPERIDIN-4-OL 1-ACETYLPIPERIDIN-4-OL 4045-22-1 C7H13NO2
(-)-DIHYDROCARVYL ACETATE (-)-DIHYDROCARVYL ACETATE 20777-49-5 C12H20O2
3-Mercaptohexyl acetate 3-Mercaptohexyl acetate 136954-20-6 C8H16O2S
4-METHYLCYCLOHEXANOL ACETATE 4-METHYLCYCLOHEXANOL ACETATE 22597-23-5 C9H16O2
2-Naphthylacrylic acid 2-Naphthylacrylic acid 51557-26-7 C13H10O2
2-BROMO-4-CHLOROBENZOTHIAZOLE 2-BROMO-4-CHLOROBENZOTHIAZOLE 3622-40-0 C7H3BrClNS
(-)-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
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