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
ALLYL CYCLOHEXANEBUTYRATE ALLYL CYCLOHEXANEBUTYRATE 7493-65-4 C13H22O2
2-PROPIONYL-2-THIAZOLINE 2-PROPIONYL-2-THIAZOLINE 29926-42-9 C6H9ONS
Methl2-Methyl-3-furyl disufide Methl2-Methyl-3-furyl disufide
ETHYL 3-(METHYLTHIO)BUTYRATE ETHYL 3-(METHYLTHIO)BUTYRATE 233665-96-8 C7H14O2S
JASMOLACTONE JASMOLACTONE 68959-28-4 C11H18O2
METHYL 4-METHYLCINNAMATE METHYL 4-METHYLCINNAMATE 20754-20-5 C11H12O2
3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID 3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID 1135-15-5 C10H12O4
LAVANDULOL LAVANDULOL 498-16-8 C10H18O
GUAI-1(5)-EN-11-OL:ACETATE GUAI-1(5)-EN-11-OL:ACETATE 134-28-1 C17H28O2
ISOAMYL TIGLATE ISOAMYL TIGLATE 41519-18-0 C10H18O2
Cinncloval Cinncloval 5660-60-6 C11H12O2
2-FURFURYLTHIO THIAZOLE 2-FURFURYLTHIO THIAZOLE C8H7NOS2
1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated 1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated 73507-41-2 C12H16N2O5
2-CHLORO-6-FLUOROCINNAMIC ACID 2-CHLORO-6-FLUOROCINNAMIC ACID 392-22-3 C9H6ClFO2
2-CARBOXYCINNAMIC ACID 2-CARBOXYCINNAMIC ACID 612-40-8 C10H8O4
DIMETHYL BENZYL CARBINYL PROPIONATE DIMETHYL BENZYL CARBINYL PROPIONATE 67785-77-7 C13H18O2
Sodium cinnamate Sodium cinnamate 538-42-1 C9H9NaO2
3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID 3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID 22014-01-3 C17H24O3
(2E)-3-(4-methylphenyl)acrylic acid(SALTDATA: FREE) (2E)-3-(4-methylphenyl)acrylic acid(SALTDATA: FREE) 940-61-4 C10H10O2
TRICYCLODECENYL ACETATE TRICYCLODECENYL ACETATE 2500-83-6 C12H16O2
2,6-DIFLUOROPHENYLACETONE 2,6-DIFLUOROPHENYLACETONE 101712-20-3 C9H8F2O
ALLYLCYCLOHEXANE ACETATE ALLYLCYCLOHEXANE ACETATE 4728-82-9 C11H18O2
2-ISOPROPYL-3-FURYL-PROPENAL 2-ISOPROPYL-3-FURYL-PROPENAL C10H12O2
(4-ETHOXYBENZOYL)-3-ACRYLIC ACID (4-ETHOXYBENZOYL)-3-ACRYLIC ACID 29582-31-8 C12H12O4
(R)-2-decen-5-olide (R)-2-decen-5-olide 51154-96-2 C10H16O2
(Z)-1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl cinnamate (Z)-1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl cinnamate 10024-56-3 C19H24O2
E-4-Hexen-1-ol E-4-Hexen-1-ol 6126-50-7 C6H12O
2-Butylpyrazine 2-Butylpyrazine C8H12N2
2-Ethylthiazole 2-Ethylthiazole C5H7NS
2,5-Dimethyl-3-tetrohydrofurylethanethioate 2,5-Dimethyl-3-tetrohydrofurylethanethioate C8H14O2S
ISOLONGIFOLANONE ISOLONGIFOLANONE 29461-14-1 C15H24O
GERANYL ACETATE GERANYL ACETATE 16409-44-2 C12H20O2
ETHYL 3-HYDROXYBUTYRATE ETHYL 3-HYDROXYBUTYRATE 35608-64-1 C6H12O3
METHYL 4-TERT-BUTYLPHENYLACETATE, 97 METHYL 4-TERT-BUTYLPHENYLACETATE, 97 33155-60-1 C13H18O2
2,2,5-trimethylhex-4-enal 2,2,5-trimethylhex-4-enal 1000-30-2 C9H16O
7-isopropyl-4-methyloxepan-2-one 7-isopropyl-4-methyloxepan-2-one 499-54-7 C10H18O2
Bergrmal Bergrmal
Acid geraniol ester Acid geraniol ester
Acetic acid ester cuMin Acetic acid ester cuMin
Geranyl isovalerate ester Geranyl isovalerate ester
METHYLISOPENTYLDISULFIDE METHYLISOPENTYLDISULFIDE 72437-56-0 C6H14S2
2,5-DIMETHYL-3-TETRAHYDROFURANTHIOL,CISANDTRANSISOMERS 2,5-DIMETHYL-3-TETRAHYDROFURANTHIOL,CISANDTRANSISOMERS 26486-21-5 C6H12OS
METHYL2-HEXENOATE METHYL2-HEXENOATE 32585-08-3 C9H16O2
2-AMINO-5-IODOBENZONIC ACID ETHYL ESTER 2-AMINO-5-IODOBENZONIC ACID ETHYL ESTER 912575-12-3 C10H12INO2
Furfuraldipropionaldehyde Furfuraldipropionaldehyde C11H12O4
(2,4-Dimethoxyphenyl)acetone (2,4-Dimethoxyphenyl)acetone 831-29-8 C11H14O3
2,3-DICHLOROCINNAMIC ACID 2,3-DICHLOROCINNAMIC ACID 20595-44-2 C9H6Cl2O2
4-ACETOXY-3-METHOXYCINNAMIC ACID 4-ACETOXY-3-METHOXYCINNAMIC ACID 2596-47-6 C12H12O5
DIHYDROACTINIDIOLIDE DIHYDROACTINIDIOLIDE 15356-74-8 C11H16O2
N-HEXYL CAPRYLATE N-HEXYL CAPRYLATE C14H28O2
TRANS-3-ETHOXYCINNAMIC ACID TRANS-3-ETHOXYCINNAMIC ACID 103986-73-8 C11H12O3
2-METHYL-2-OCTANOL 2-METHYL-2-OCTANOL 628-44-4 C9H20O
methylheptenone methylheptenone 409-02-9 C8H14O
hexahydro-2'3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan] hexahydro-2'3a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan] 38325-25-6 C10H16O2S2
methyl prop-1-enyl disulphide methyl prop-1-enyl disulphide 5905-47-5 C4H8S2
S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate S-(2,5-dimethyl-3-furyl) 3-methylbutanethioate 55764-28-8 C11H16O2S
2,3-Dimethyl-5-isopropylpyrazine 2,3-Dimethyl-5-isopropylpyrazine C9H14N2
hydroxypentanone,3-hydroxy-2-pentanone hydroxypentanone,3-hydroxy-2-pentanone 3142-66-3 C5H10O2
1,2,4-Trithiolane, 3,5-diethyl- 1,2,4-Trithiolane, 3,5-diethyl- 54644-28-9 C6H12S3
2,4-Pentadienal 2,4-Pentadienal 764-40-9 C5H6O
NISTC42474442 NISTC42474442 42474-44-2 C3H8S3
NOOTKATONE(SG) NOOTKATONE(SG)
HEXENAL HEXENAL 25166-87-4 C6H10O
DIMERCAPTOMETHANE DIMERCAPTOMETHANE 6725-64-0 CH4S2
4,5-DIMETHYL-2-ISOPROPYL-3-THIAZOLINE 4,5-DIMETHYL-2-ISOPROPYL-3-THIAZOLINE 33120-74-0 C8H13NS2
1,1-Dimethylthio-2,4-nonadienal 1,1-Dimethylthio-2,4-nonadienal C11H19OS2
2-BUTYL PYRAZINE 2-BUTYL PYRAZINE 29460-91-1 C8H12N2
2-METHOXY-3-METHYLPYRAZINE 2-METHOXY-3-METHYLPYRAZINE 68378-13-2 C6H8N2O
TEAALCOHOL TEAALCOHOL
Prohydrojasmon Prohydrojasmon 158474-72-7 C15H26O3
(4-CARBOXYPHENYL)ACETONE (4-CARBOXYPHENYL)ACETONE 15482-54-9 C10H10O3
2-methoxy-6-methylpyrazine 2-methoxy-6-methylpyrazine 2882-21-5 C6H8N2O
BENZALDEHYDE DIMETHYLTHIOL ACETAL BENZALDEHYDE DIMETHYLTHIOL ACETAL C9H12O2S2
Bicyclohomofarnesal Bicyclohomofarnesal 3243-36-5 C16H26O
Allylthioacetate Allylthioacetate 23973-51-5 C5H8OS
Allyl caprylate Allyl caprylate C11H20O2
Methyl Gui Methyl Gui
Cyclohexanepentanoic acid, 2-propenyl ester Cyclohexanepentanoic acid, 2-propenyl ester 7493-68-7 C14H24O2
Ibuprofen piconol Ibuprofen piconol 82962-58-1 C19H23NO2
2,4,8-TRIMETHYL-7-NONEN-2-OL 2,4,8-TRIMETHYL-7-NONEN-2-OL 437770-28-0 C12H24O
2,4,8-TRIMETHYL-3,7-NONADIEN-2-OL 2,4,8-TRIMETHYL-3,7-NONADIEN-2-OL 479547-57-4 C12H22O
Benzaldehydedipropylthioacetal Benzaldehydedipropylthioacetal C13H20OS
Propionaldehydedimethylthioacetal Propionaldehydedimethylthioacetal C5H12OS
Comphene Comphene 565-00-4 C10H16
1,2-DI((1'-ETHOXY)ETHOXY)PROPANE 1,2-DI((1'-ETHOXY)ETHOXY)PROPANE 67715-79-1 C11H24O4
FEMA 3710 FEMA 3710 36781-67-6 C10H18O2
2,4-DIISOPROPYL ESTER 2,4-DIISOPROPYL ESTER
2,5-DIMETHYLCINNAMIC ACID 2,5-DIMETHYLCINNAMIC ACID 95883-10-6 C11H12O2
3-(hydroxymethyl)heptan-2-one 3-(hydroxymethyl)heptan-2-one 65405-68-7 C8H16O2
3,7-Dimethyl-6-octen-3-ol 3,7-Dimethyl-6-octen-3-ol C10H20O
Thiofuroic acid Thiofuroic acid C5H4O2S
Benzyl isovalerate Benzyl isovalerate C12H16O2
2-Mercapto-1-phenylethanone 2-Mercapto-1-phenylethanone C8H8OS
Methanethiolacetate Methanethiolacetate C3H5OS-
PROPYL2-MERCAPTOPROPIONATE PROPYL2-MERCAPTOPROPIONATE 19788-50-2 C6H12O2S
3-(METHYLTHIO)METHYLTHIOPHENE 3-(METHYLTHIO)METHYLTHIOPHENE 61675-72-7 C6H8S2
3-Ethoxy-4-hydroxyhenzaldehyde-2,2dimethyl-1,3propyleneglycolacctal 3-Ethoxy-4-hydroxyhenzaldehyde-2,2dimethyl-1,3propyleneglycolacctal
Methyl3-methyl-1-Butenyldisulfide Methyl3-methyl-1-Butenyldisulfide 233666-09-6 C6H12S2
TRANS-2-PENTENAL TRANS-2-PENTENAL 764-39-6 C5H8O
3,4,5-TRITHIAOCTANE 3,4,5-TRITHIAOCTANE 31499-70-4 C5H12S3
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