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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
CIVETONE CIVETONE 542-46-1 C17H30O
3-BENZOYLACRYLIC ACID 3-BENZOYLACRYLIC ACID 583-06-2 C10H8O3
5-BROMO-2-FLUOROCINNAMIC ACID 5-BROMO-2-FLUOROCINNAMIC ACID 202865-71-2 C9H6BrFO2
FEMA 3457 FEMA 3457 5421-17-0 C14H20O2
HEPTYL CAPRYLATE HEPTYL CAPRYLATE 4265-97-8 C15H30O2
3-CHLOROPHENYLACETONE 3-CHLOROPHENYLACETONE 14123-60-5 C9H9ClO
3-(ACETYLTHIO)HEXYL ACETATE 3-(ACETYLTHIO)HEXYL ACETATE 136954-25-1 C10H18O3S
Methyl geranate Methyl geranate 1189-09-9 C11H18O2
POLY(ISOBUTYL ACRYLATE) POLY(ISOBUTYL ACRYLATE) 26335-74-0 C7H12O2
1,1-Dimethoxydecane 1,1-Dimethoxydecane 7779-41-1 C12H26O2
FEMA 2368 FEMA 2368 5454-09-1 C14H28O2
FEMA 2774 FEMA 2774 999-40-6 C14H24O2
2-methylbutyl butyrate 2-methylbutyl butyrate 51115-64-1 C9H18O2
12-Methyltridecanal 12-Methyltridecanal 75853-49-5 C14H28O
3-Chlorocinnamaldehyde 3-Chlorocinnamaldehyde 56578-37-1 C9H7ClO
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE (E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE 24720-09-0 C13H20O
FEMA 2961 FEMA 2961 32665-23-9 C8H16O2
Alpha-Damascone Alpha-Damascone 43052-87-5 C13H20O
ALLYL ANTHRANILATE ALLYL ANTHRANILATE 7493-63-2 C10H11NO2
CORTEX ALDEHYDE 50 BENZYL ALCOHOL CORTEX ALDEHYDE 50 BENZYL ALCOHOL 2120-70-9 C8H8O2
3-BROMO-4-FLUOROCINNAMIC ACID 3-BROMO-4-FLUOROCINNAMIC ACID 160434-49-1 C9H6BrFO2
SANTALOL SANTALOL 11031-45-1 C15H24O
4-MERCAPTOHYDROCINNAMIC ACID 4-MERCAPTOHYDROCINNAMIC ACID 63545-55-1 C9H10O2S
Rhodinol Rhodinol 141-25-3 C10H20O
(Z)-7-DECEN-5-OLIDE (Z)-7-DECEN-5-OLIDE 25524-95-2 C10H16O2
Isobutyl furfurylacetate Isobutyl furfurylacetate 105-01-1 C11H16O3
ETHYL METHYL DISULFIDE ETHYL METHYL DISULFIDE 20333-39-5 C3H8S2
Citronellyl tiglate Citronellyl tiglate 24717-85-9 C15H26O2
2-FURFURYLTHIO-3-METHYLPYRAZINE 2-FURFURYLTHIO-3-METHYLPYRAZINE 59303-07-0 C10H10N2OS
4-METHYLPHENYLACETONE 4-METHYLPHENYLACETONE 2096-86-8 C10H12O
TRANS-2-DECENAL TRANS-2-DECENAL 3913-71-1 C10H18O
IsoaMyl 4-MethoxycinnaMate IsoaMyl 4-MethoxycinnaMate 71617-10-2 C15H20O3
HEXYL ISOVALERATE  STANDARD FOR GC HEXYL ISOVALERATE STANDARD FOR GC 10032-13-0 C11H22O2
(+)-DIHYDROCARVEOL  MIXTURE OF ISOMERS (+)-DIHYDROCARVEOL MIXTURE OF ISOMERS 22567-21-1 C10H18O
Ethyl 4-bromomethylcinnamate Ethyl 4-bromomethylcinnamate 60682-98-6 C12H13BrO2
ISOEUGENYL PHENYLACETATE ISOEUGENYL PHENYLACETATE 120-24-1 C18H18O3
10-NONADECANONE 10-NONADECANONE 504-57-4 C19H38O
ETHYL TRANS-2-OCTENOATE ETHYL TRANS-2-OCTENOATE 2351-90-8 C10H18O2
Menthyl lactate Menthyl lactate 17162-29-7 C13H24O3
ALPHA-CYANOCINNAMIC ACID ALPHA-CYANOCINNAMIC ACID 1011-92-3 C10H7NO2
4,4'-DIBROMOBENZIL 4,4'-DIBROMOBENZIL 35578-47-3 C14H8Br2O2
3-MERCAPTO-2-METHYLPENTANAL 3-MERCAPTO-2-METHYLPENTANAL 227456-28-2 C6H12OS
1-ETHOXY-1-(3,7-DIMETHYL-1,6-OCTADIEN-3-YLOXY)ETHANE 1-ETHOXY-1-(3,7-DIMETHYL-1,6-OCTADIEN-3-YLOXY)ETHANE 40910-49-4 C14H26O2
(+/-)-2-ISOPROPENYL-5-METHYL-4-HEXEN-1-YL ACETATE (+/-)-2-ISOPROPENYL-5-METHYL-4-HEXEN-1-YL ACETATE 50373-59-6 C12H20O2
3-Mercaptohexyl hexanoate 3-Mercaptohexyl hexanoate 136954-22-8 C12H24O2S
ALPHA-CYANO-3-HYDROXYCINNAMIC ACID ALPHA-CYANO-3-HYDROXYCINNAMIC ACID 54673-07-3 C10H7NO3
SANTALYL ACETATE SANTALYL ACETATE 1323-00-8 C17H26O2
2,6-DICHLOROCINNAMIC ACID 2,6-DICHLOROCINNAMIC ACID 5345-89-1 C9H6Cl2O2
3-Cyanocinnamic acid 3-Cyanocinnamic acid 16642-93-6 C10H7NO2
Phenylethyl Anthranilate Phenylethyl Anthranilate 133-18-6 C15H15NO2
FEMA 3082 FEMA 3082 7774-82-5 C13H24O
DL-MALIC ACID DIETHYL ESTER DL-MALIC ACID DIETHYL ESTER 626-11-9 C8H14O5
ETHYL PROPYL DISULFIDE ETHYL PROPYL DISULFIDE 30453-31-7 C5H12S2
4-METHYL-5-ACETYL THIAZOLE 4-METHYL-5-ACETYL THIAZOLE 38205-55-9 C6H7NOS
GERANYL CAPROATE GERANYL CAPROATE 10032-02-7 C16H28O2
CIS-3-HEXENOIC ACID CIS-3-HEXENOIC ACID 4219-24-3 C6H10O2
2,3-Difluorocinnamic acid 2,3-Difluorocinnamic acid 207981-48-4 C9H6F2O2
3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one 42348-12-9 C8H12O2
Bis(2-methyl-3-furyl)tetrasulfide Bis(2-methyl-3-furyl)tetrasulfide 28588-76-3 C10H10O2S4
4-Nitrocinnamic acid 4-Nitrocinnamic acid 882-06-4 C9H7NO4
N-TETRADECANOPHENONE N-TETRADECANOPHENONE 4497-05-6 C20H32O
Isobutyl stearate Isobutyl stearate 646-13-9 C22H44O2
4'-METHOXY-2-PHENYLACETOPHENONE 4'-METHOXY-2-PHENYLACETOPHENONE 1023-17-2 C15H14O2
2-MERCAPTOPYRAZINE 2-MERCAPTOPYRAZINE C4H4N2S
Epoxydihydrolinalool Epoxydihydrolinalool 1365-19-1 C10H18O2
ETHYL 2-HYDROXYCAPROATE ETHYL 2-HYDROXYCAPROATE 52089-55-1 C8H16O3
CYCLOHEXYL CINNAMATE CYCLOHEXYL CINNAMATE 7779-17-1 C15H18O2
S-Methyl 2-methylthiobutyrate S-Methyl 2-methylthiobutyrate 42075-45-6 C6H12OS
2,6-DICHLOROPHENYLACETONE 2,6-DICHLOROPHENYLACETONE 93457-06-8 C9H8Cl2O
2-METHYLDECANONITRILE 2-METHYLDECANONITRILE 69300-15-8 C11H21N
ETHYL CYCLOHEXANEPROPIONATE ETHYL CYCLOHEXANEPROPIONATE 10094-36-7 C11H20O2
HEPTYL ISOBUTYRATE HEPTYL ISOBUTYRATE 2349-13-5 C11H22O2
OCIMENE OCIMENE 13877-91-3 C10H16
4-ACETOXYCINNAMIC ACID 4-ACETOXYCINNAMIC ACID 15486-19-8 C11H10O4
DECYL PROPIONATE DECYL PROPIONATE 5454-19-3 C13H26O2
ALLYL TIGLATE ALLYL TIGLATE 7493-71-2 C8H12O2
Methyl 4-hydroxycinnamate Methyl 4-hydroxycinnamate 3943-97-3 C10H10O3
3-HYDROXYCINNAMIC ACID 3-HYDROXYCINNAMIC ACID 588-30-7 C9H8O3
(Z)-beta-damascone (Z)-beta-damascone 23726-92-3 C13H20O
FEMA 3678 FEMA 3678 60523-21-9 C8H12O2
ANTHER ANTHER 56011-02-0 C13H20O
FEMA 3222 FEMA 3222 5457-70-5 C16H24O2
Dihydro-2,4,6-trimethyl-4H-1,3,5-dithiazine Dihydro-2,4,6-trimethyl-4H-1,3,5-dithiazine 94944-51-1 C6H11NS2
1,3-BUTANEDITHIOL 1,3-BUTANEDITHIOL 24330-52-7 C4H10S2
Zearalenone Zearalenone 17924-92-4 C18H22O5
3-(trifluoromethyl) Cinnamaldehyde 3-(trifluoromethyl) Cinnamaldehyde 262268-58-6 C10H7F3O
α-Ionol α-Ionol 25312-34-9 C13H22O
ALLYL UNDECYLENATE ALLYL UNDECYLENATE 7493-76-7 C14H24O2
3-(1-Naphthyl)acrylic acid 3-(1-Naphthyl)acrylic acid 13026-12-5 C13H10O2
1,9-NONANEDIOL DIACETATE 1,9-NONANEDIOL DIACETATE 4944-60-9 C13H24O4
3-MERCAPTOHEXYL BUTYRATE 3-MERCAPTOHEXYL BUTYRATE 136954-21-7 C10H20O2S
1-OCTEN-3-YL BUTYRATE 1-OCTEN-3-YL BUTYRATE 16491-54-6 C12H22O2
4-FORMYLCINNAMIC ACID METHYL ESTER 4-FORMYLCINNAMIC ACID METHYL ESTER 7560-50-1 C11H10O3
14-HEPTACOSANONE 14-HEPTACOSANONE 542-50-7 C27H54O
FEMA 3676 FEMA 3676 94133-92-3 C13H24O2
3,5-Dimethyl-1,2,4-trithiolane 3,5-Dimethyl-1,2,4-trithiolane 23654-92-4 C4H8S3
2-Methyl-1,3-oxathiolane-2-ethanethiol 2-Methyl-1,3-oxathiolane-2-ethanethiol 95792-16-8 C6H12OS2
Allylpropylsulfide Allylpropylsulfide 33922-70-2 C6H12S
TERPINYL BUTYRATE TERPINYL BUTYRATE 2153-28-8 C14H24O2
4-ISOPROPYLCINNAMIC ACID 4-ISOPROPYLCINNAMIC ACID 3368-21-6 C12H14O2
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