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
(+)-Isobutyl D-lactate (+)-Isobutyl D-lactate 61597-96-4 C7H14O3
Cinnamyl propionate Cinnamyl propionate 103-56-0 C12H14O2
Hexyl benzoate Hexyl benzoate 6789-88-4 C13H18O2
2-METHYLVALERIC ACID 2-METHYLVALERIC ACID 97-61-0 C6H12O2
Leaf alcohol Leaf alcohol 928-96-1 C6H12O
Isoamyl o-hydroxybenzoate Isoamyl o-hydroxybenzoate 87-20-7 C12H16O3
Ethanethioic acid S-ethyl ester Ethanethioic acid S-ethyl ester 625-60-5 C4H8OS
5-Hydroxy-4-octanone 5-Hydroxy-4-octanone 496-77-5 C8H16O2
OCTYL BUTYRATE OCTYL BUTYRATE 110-39-4 C12H24O2
2-Pentylfuran 2-Pentylfuran 3777-69-3 C9H14O
ISOAMYL HEXANOATE ISOAMYL HEXANOATE 2198-61-0 C11H22O2
Allicin Allicin 539-86-6 C6H10OS2
(E)-2-Octenal (E)-2-Octenal 2548-87-0 C8H14O
2-Ethyl-4-methyl thiazole 2-Ethyl-4-methyl thiazole 15679-12-6 C6H9NS
Ethyl caprate Ethyl caprate 110-38-3 C12H24O2
2-Butanethiol 2-Butanethiol 513-53-1 C4H10S
4-Allylanisole 4-Allylanisole 140-67-0 C10H12O
2-Furanacrolein 2-Furanacrolein 623-30-3 C7H6O2
2-Ethyl-3-methoxypyrazine 2-Ethyl-3-methoxypyrazine 25680-58-4 C7H10N2O
(-)-PERILLALDEHYDE (-)-PERILLALDEHYDE 18031-40-8 C10H14O
Methyl cedryl ether Methyl cedryl ether 19870-74-7 C16H28O
10-UNDECEN-1-OL 10-UNDECEN-1-OL 112-43-6 C11H22O
delta-Hexalactone delta-Hexalactone 823-22-3 C6H10O2
2-Isopropyl-4-methyl thiazole 2-Isopropyl-4-methyl thiazole 15679-13-7 C7H11NS
Methyl eugenol Methyl eugenol 93-15-2 C11H14O2
TRANS,TRANS-2,4-HEXADIEN-1-OL TRANS,TRANS-2,4-HEXADIEN-1-OL 111-28-4 C6H10O
2,2,2-Trichloro-1-phenylethyl acetate 2,2,2-Trichloro-1-phenylethyl acetate 90-17-5 C10H9Cl3O2
1-Octen-3-yl acetate 1-Octen-3-yl acetate 2442-10-6 C10H18O2
Isobutyl salicylate Isobutyl salicylate 87-19-4 C11H14O3
Dimethyl disulfide Dimethyl disulfide 624-92-0 C2H6S2
Methyl propionate Methyl propionate 554-12-1 C4H8O2
METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE 4707-47-5 C10H12O4
Dodecyl methyl sulfide Dodecyl methyl sulfide 3698-89-3 C13H28S
Bis(2-methyl-3-furyl)disulfide Bis(2-methyl-3-furyl)disulfide 28588-75-2 C10H10O2S2
NERYL ACETATE NERYL ACETATE 141-12-8 C12H20O2
1,3-Dimercaptopropane 1,3-Dimercaptopropane 109-80-8 C3H8S2
3-(Trifluoromethyl)cinnamic acid 3-(Trifluoromethyl)cinnamic acid 779-89-5 C10H7F3O2
ALLYL CINNAMATE ALLYL CINNAMATE 1866-31-5 C12H12O2
4,4'-Thiodibenzenethiol 4,4'-Thiodibenzenethiol 19362-77-7 C12H10S3
Propyl cinnamate Propyl cinnamate 7778-83-8 C12H14O2
Dibenzyl sulphide Dibenzyl sulphide 538-74-9 C14H14S
2-Methylbenzenethiol 2-Methylbenzenethiol 137-06-4 C7H8S
Ethyl furaneol Ethyl furaneol 27538-10-9 C7H10O3
Styralyl acetate Styralyl acetate 93-92-5 C10H12O2
Benzyl acetate Benzyl acetate 140-11-4 C9H10O2
Diallyl sulfide Diallyl sulfide 592-88-1 C6H10S
Citral Citral 5392-40-5 C10H16O
Butyl butyrate Butyl butyrate 109-21-7 C8H16O2
Undecanal Undecanal 112-44-7 C11H22O
5-Hydroxyoctanoic acid lactone 5-Hydroxyoctanoic acid lactone 698-76-0 C8H14O2
1-Octen-3-one 1-Octen-3-one 4312-99-6 C8H14O
1-Benzyloxy-2-methoxy-4-propenylbenzene 1-Benzyloxy-2-methoxy-4-propenylbenzene 120-11-6 C17H18O2
2-Hexylthiophene 2-Hexylthiophene 18794-77-9 C10H16S
TETRAHYDROFURFURYL ACETATE TETRAHYDROFURFURYL ACETATE 637-64-9 C7H12O3
CIS-2-PENTEN-1-OL CIS-2-PENTEN-1-OL 1576-95-0 C5H10O
1,4-Dimethoxybenzene 1,4-Dimethoxybenzene 150-78-7 C8H10O2
2-Formamidothiazol-4-acetic acid 2-Formamidothiazol-4-acetic acid 75890-68-5 C6H6N2O3S
Isoamyl cinnamate Isoamyl cinnamate 7779-65-9 C14H18O2
TRANS-2-METHYL-2-BUTENAL TRANS-2-METHYL-2-BUTENAL 497-03-0 C5H8O
Hexyl hexanoate Hexyl hexanoate 6378-65-0 C12H24O2
Veratraldehyde Veratraldehyde 120-14-9 C9H10O3
2-Methyl-3-(methylthio)pyrazine 2-Methyl-3-(methylthio)pyrazine 2882-20-4 C6H8N2S
Ethyl oleate Ethyl oleate 111-62-6 C20H38O2
2-Chloropyrazine 2-Chloropyrazine 14508-49-7 C4H3ClN2
Phenethyl butyrate Phenethyl butyrate 103-52-6 C12H16O2
3-Methyl-2-butanethiol 3-Methyl-2-butanethiol 2084-18-6 C5H12S
trans-Cinnamic acid trans-Cinnamic acid 140-10-3 C9H8O2
Ethyl 3-hexenoate Ethyl 3-hexenoate 2396-83-0 C8H14O2
2,4,5-TRIMETHYLANILINE 2,4,5-TRIMETHYLANILINE 94-48-4 C17H22O2
2-Methyl-3-furanthiol 2-Methyl-3-furanthiol 28588-74-1 C5H6OS
Propyl propionate Propyl propionate 106-36-5 C6H12O2
9-DECENOIC ACID 9-DECENOIC ACID 14436-32-9 C10H18O2
ETHYL 2-METHYLPENTANOATE ETHYL 2-METHYLPENTANOATE 39255-32-8 C8H16O2
Isobutyl isobutyrate Isobutyl isobutyrate 97-85-8 C8H16O2
2-Methoxy-3-sec-butyl pyrazine 2-Methoxy-3-sec-butyl pyrazine 24168-70-5 C9H14N2O
N-DECYL ACETATE N-DECYL ACETATE 112-17-4 C12H24O2
3-Methylbutyl 3-methylbutanoate 3-Methylbutyl 3-methylbutanoate 659-70-1 C10H20O2
2-Propylpyrazine 2-Propylpyrazine 18138-03-9 C7H10N2
Triacetin Triacetin 102-76-1 C9H14O6
METHYL 2-NONYNOATE METHYL 2-NONYNOATE 111-80-8 C10H16O2
2-Methylbutyl 2-methylbutyrate 2-Methylbutyl 2-methylbutyrate 2445-78-5 C10H20O2
BUTYL LAURATE BUTYL LAURATE 106-18-3 C16H32O2
2-Acetyl pyrrole 2-Acetyl pyrrole 1072-83-9 C6H7NO
2-HYDROXYTHIOANISOLE 2-HYDROXYTHIOANISOLE 1073-29-6 C7H8OS
FEMA 2871 FEMA 2871 140-26-1 C13H18O2
2,2,4,4,6,6-Hexamethyl-S-trithiane 2,2,4,4,6,6-Hexamethyl-S-trithiane 828-26-2 C9H18S3
NEROL NEROL 106-25-2 C10H18O
Formic acid isopropyl ester Formic acid isopropyl ester 625-55-8 C4H8O2
Benzyl propionate Benzyl propionate 122-63-4 C10H12O2
4-(4-Methoxyphenyl)-2-butanone 4-(4-Methoxyphenyl)-2-butanone 104-20-1 C11H14O2
Benzyl formate Benzyl formate 104-57-4 C8H8O2
2-Methyl butyric acid 2-Methyl butyric acid 116-53-0 C5H10O2
Isobutyl 5-chloro-2,2-dimethylvalerate Isobutyl 5-chloro-2,2-dimethylvalerate 109232-37-3 C11H21ClO2
Ethyl myristate Ethyl myristate 124-06-1 C16H32O2
Ethyl laurate Ethyl laurate 106-33-2 C14H28O2
Phenylacetaldehyde Phenylacetaldehyde 122-78-1 C8H8O
3-Methyl-1-butanethiol 3-Methyl-1-butanethiol 541-31-1 C5H12S
cis-3-Hexenyl benzoate cis-3-Hexenyl benzoate 25152-85-6 C13H16O2
3-ACETYL-2,5-DIMETHYLFURAN 3-ACETYL-2,5-DIMETHYLFURAN 10599-70-9 C8H10O2
4-Methoxycinnamic acid 4-Methoxycinnamic acid 830-09-1 C10H10O3
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