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
2-(METHYLTHIO)THIAZOLE 2-(METHYLTHIO)THIAZOLE 5053-24-7 C4H5NS2
4-tert-Butylcyclohexyl acetate 4-tert-Butylcyclohexyl acetate 32210-23-4 C12H22O2
CIS-3-HEXENYL PROPIONATE CIS-3-HEXENYL PROPIONATE 33467-74-2 C9H16O2
DI-N-OCTYL SULFIDE DI-N-OCTYL SULFIDE 2690-08-6 C16H34S
5-Methyl-2-pyrazinecarboxylic acid 5-Methyl-2-pyrazinecarboxylic acid 5521-55-1 C6H6N2O2
4-Fluorocinnamic acid 4-Fluorocinnamic acid 459-32-5 C9H7FO2
4,5-DIMETHYL-2-ISOPROPYL THIAZOLE 4,5-DIMETHYL-2-ISOPROPYL THIAZOLE 53498-30-9 C8H13NS
2-Ethyl-3,5-dimethylpyrazine 2-Ethyl-3,5-dimethylpyrazine 27043-05-6 C8H12N2
4-Methylthio-4-methyl-2-pentanone 4-Methylthio-4-methyl-2-pentanone 23550-40-5 C7H14OS
2-Ethoxypyrazine 2-Ethoxypyrazine 38028-67-0 C6H8N2O
3-Aminopyrazine-2-carboxylic acid 3-Aminopyrazine-2-carboxylic acid 5424-01-1 C5H5N3O2
METHYL MERCAPTAN METHYL MERCAPTAN 74-93-1 CH4S
2-Propanethiol 2-Propanethiol 75-33-2 C3H8S
Boldenone undecylenate Boldenone undecylenate 13103-34-9 C30H44O3
Furfuryl thioformate Furfuryl thioformate 59020-90-5 C6H6O2S
Benzyldimethylcarbinyl butyrate Benzyldimethylcarbinyl butyrate 10094-34-5 C14H20O2
CIS-3-HEXENYL SALICYLATE CIS-3-HEXENYL SALICYLATE 65405-77-8 C13H16O3
N-AMYL BENZOATE N-AMYL BENZOATE 2049-96-9 C12H16O2
Geranylacetone Geranylacetone 3796-70-1 C13H22O
Butyl levulinate Butyl levulinate 2052-15-5 C9H16O3
4'-Methylacetophenone 4'-Methylacetophenone 122-00-9 C9H10O
Triethyl citrate Triethyl citrate 77-93-0 C12H20O7
ETHYL UNDECANOATE ETHYL UNDECANOATE 627-90-7 C13H26O2
PENTYL HEXANOATE PENTYL HEXANOATE 540-07-8 C11H22O2
2-Ethyl-3-methylpyrazine 2-Ethyl-3-methylpyrazine 15707-23-0 C7H10N2
Benzylacetone Benzylacetone 2550-26-7 C10H12O
Hexyl 2-methylbutyrate Hexyl 2-methylbutyrate 10032-15-2 C11H22O2
Methyl p-tert-butylphenylacetate Methyl p-tert-butylphenylacetate 3549-23-3 C13H18O2
3-Ethyl-2-hydroxy-2-cyclopenten-1-one 3-Ethyl-2-hydroxy-2-cyclopenten-1-one 21835-01-8 C7H10O2
Terpinen-4-ol Terpinen-4-ol 562-74-3 C10H18O
Methyl 4-methylbenzoate Methyl 4-methylbenzoate 99-75-2 C9H10O2
2-Acetylthiazole 2-Acetylthiazole 24295-03-2 C5H5NOS
Furaneol acetate Furaneol acetate 4166-20-5 C8H10O4
Thiophenethiol Thiophenethiol 7774-74-5 C4H4S2
FEMA 2080 FEMA 2080 2035-99-6 C13H26O2
Hexyl butyrate Hexyl butyrate 2639-63-6 C10H20O2
ALLYL PHENYLACETATE ALLYL PHENYLACETATE 1797-74-6 C11H12O2
Cinnamyl chloride Cinnamyl chloride 21087-29-6 C9H9Cl
DL-Isoborneol DL-Isoborneol 124-76-5 C10H18O
Anisyl acetate Anisyl acetate 104-21-2 C10H12O3
Benzyl isobutyrate Benzyl isobutyrate 103-28-6 C11H14O2
METHYL PROPYL SULFIDE METHYL PROPYL SULFIDE 3877-15-4 C4H10S
Ethyl phenylacetate Ethyl phenylacetate 101-97-3 C10H12O2
2,3-Dimethyl-5-ethylpyrazine 2,3-Dimethyl-5-ethylpyrazine 15707-34-3 C8H12N2
Ethyl 2-methylbutyrate Ethyl 2-methylbutyrate 7452-79-1 C7H14O2
ISOBUTYL BENZOATE ISOBUTYL BENZOATE 120-50-3 C11H14O2
1-Nonanol 1-Nonanol 143-08-8 C9H20O
Geranyl formate Geranyl formate 105-86-2 C11H18O2
Terpinolene Terpinolene 586-62-9 C10H16
Methyl hexanoate Methyl hexanoate 106-70-7 C7H14O2
2-Ethylbutyl acetate 2-Ethylbutyl acetate 10031-87-5 C8H16O2
1-Propanethiol 1-Propanethiol 107-03-9 C3H8S
Isopropyl acetate Isopropyl acetate 108-21-4 C5H10O2
Ethyl vinyl ketone Ethyl vinyl ketone 1629-58-9 C5H8O
1-FURFURYLPYRROLE 1-FURFURYLPYRROLE 1438-94-4 C9H9NO
Cinnamyl cinnamate Cinnamyl cinnamate 122-69-0 C18H16O2
S-N-PROPYL THIOACETATE S-N-PROPYL THIOACETATE 2307-10-0 C5H10OS
Methyl anisate Methyl anisate 121-98-2 C9H10O3
trans-2-Heptenal trans-2-Heptenal 18829-55-5 C7H12O
2-Methyltetrahydrofuran-3-thiol 2-Methyltetrahydrofuran-3-thiol 57124-87-5 C5H10OS
Methyl cinnamate Methyl cinnamate 103-26-4 C10H10O2
4-Methylcinnamic acid 4-Methylcinnamic acid 1866-39-3 C10H10O2
3-Mercapto-2-pentanone 3-Mercapto-2-pentanone 67633-97-0 C5H10OS
Methyl 2-methylbutyrate Methyl 2-methylbutyrate 868-57-5 C6H12O2
PHYTOL PHYTOL 150-86-7 C20H40O
2-Undecanone 2-Undecanone 112-12-9 C11H22O
FEMA 3498 FEMA 3498 35154-45-1 C11H20O2
ISOBUTYRIC ACID ISOPROPYL ESTER ISOBUTYRIC ACID ISOPROPYL ESTER 617-50-5 C7H14O2
ETHYL 3-PHENYLGLYCIDATE ETHYL 3-PHENYLGLYCIDATE 121-39-1 C11H12O3
Ethyl lactate Ethyl lactate 97-64-3 C5H10O3
3-(Methylthio)propionaldehyde 3-(Methylthio)propionaldehyde 3268-49-3 C4H8OS
BUTYL ANTHRANILATE BUTYL ANTHRANILATE 7756-96-9 C11H15NO2
CINNAMYL ISOBUTYRATE CINNAMYL ISOBUTYRATE 103-59-3 C13H16O2
2,6-Dimethoxypyrazine 2,6-Dimethoxypyrazine 4774-15-6 C6H8N2O2
Acetic acid octyl ester Acetic acid octyl ester 112-14-1 C10H20O2
CIS-3-HEXENYL BUTYRATE CIS-3-HEXENYL BUTYRATE 16491-36-4 C10H18O2
Butyl isovalerate Butyl isovalerate 109-19-3 C9H18O2
Celestolide Celestolide 13171-00-1 C17H24O
3,4-Dimethyl-1,2-cyclopentanedione 3,4-Dimethyl-1,2-cyclopentanedione 13494-06-9 C7H10O2
cis-3-Hexenyl phenylacetate cis-3-Hexenyl phenylacetate 42436-07-7 C14H18O2
Musk ketone Musk ketone 81-14-1 C14H18N2O5
1,4-BUTANEDITHIOL 1,4-BUTANEDITHIOL 1191-08-8 C4H10S2
4-Methylthio-2-butanone 4-Methylthio-2-butanone 34047-39-7 C5H10OS
GERANYL BUTYRATE GERANYL BUTYRATE 106-29-6 C14H24O2
Ethylene brassylate Ethylene brassylate 105-95-3 C15H26O4
Isoamyl benzoate Isoamyl benzoate 94-46-2 C12H16O2
Ethylpyrazine Ethylpyrazine 13925-00-3 C6H8N2
ETHYL 2-MERCAPTOPROPIONATE ETHYL 2-MERCAPTOPROPIONATE 19788-49-9 C5H10O2S
Isobutyl propionate Isobutyl propionate 540-42-1 C7H14O2
Cinnamonitrile Cinnamonitrile 1885-38-7 C9H7N
Benzophenone Benzophenone 119-61-9 C13H10O
3-Hydroxy-2-methyl-4H-pyran-4-one 3-Hydroxy-2-methyl-4H-pyran-4-one 118-71-8 C6H6O3
3,7-DIMETHYL-1-OCTANOL 3,7-DIMETHYL-1-OCTANOL 106-21-8 C10H22O
2-Acetyl-1-methylpyrrole 2-Acetyl-1-methylpyrrole 932-16-1 C7H9NO
p-Mentha-8-thiol-3-one p-Mentha-8-thiol-3-one 38462-22-5 C10H18OS
5-(2-Hydroxyethyl)-4-methylthiazole 5-(2-Hydroxyethyl)-4-methylthiazole 137-00-8 C6H9NOS
Salicylaldehyde Salicylaldehyde 90-02-8 C7H6O2
3-PHENYLPROPYL ACETATE 3-PHENYLPROPYL ACETATE 122-72-5 C11H14O2
Isopentyl isobutyrate Isopentyl isobutyrate 2050-01-3 C9H18O2
Carvacrol Carvacrol 499-75-2 C10H14O
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