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
4-Mercapto-4-methylpentan-2-one 4-Mercapto-4-methylpentan-2-one 19872-52-7 C6H12OS
3-Bromocinnamic acid 3-Bromocinnamic acid 32862-97-8 C9H7BrO2
2,4-HEPTADIEN-1-OL 2,4-HEPTADIEN-1-OL 33467-79-7 C7H12O
3-ACETOXY-2-BUTANONE 3-ACETOXY-2-BUTANONE 4906-24-5 C6H10O3
Ambroxane Ambroxane 6790-58-5 C16H28O
CASHMERAN CASHMERAN 33704-61-9 C14H22O
3-Phenylpropionic acid methyl ester 3-Phenylpropionic acid methyl ester 103-25-3 C10H12O2
CYCLOHEXYL PROPIONATE CYCLOHEXYL PROPIONATE 6222-35-1 C9H16O2
N-BUTYL CINNAMATE N-BUTYL CINNAMATE 538-65-8 C13H16O2
DIHYDROTERPINEOL DIHYDROTERPINEOL 498-81-7 C10H20O
2-Fluorocinnamic acid 2-Fluorocinnamic acid 451-69-4 C9H7FO2
CIS-4-DECENAL CIS-4-DECENAL 21662-09-9 C10H18O
Amyl salicylate Amyl salicylate 2050-08-0 C12H16O3
LAURIC ACID ISOBUTYL ESTER LAURIC ACID ISOBUTYL ESTER 37811-72-6 C16H32O2
Allyl (3-methylbutoxy)acetate Allyl (3-methylbutoxy)acetate 67634-00-8 C10H18O3
2-PROPIONYLTHIAZOLE 2-PROPIONYLTHIAZOLE 43039-98-1 C6H7NOS
BUTYL PHENYLACETATE BUTYL PHENYLACETATE 122-43-0 C12H16O2
Isobutyl anthranilate Isobutyl anthranilate 7779-77-3 C11H15NO2
FEMA 3699 FEMA 3699 66576-71-4 C8H16O2
5-METHYL-3-HEXEN-2-ONE 5-METHYL-3-HEXEN-2-ONE 5166-53-0 C7H12O
trans-2-Methyl-2-pentenoic acid trans-2-Methyl-2-pentenoic acid 16957-70-3 C6H10O2
4-AMINOBENZOIC ACID ISOBUTYL ESTER 4-AMINOBENZOIC ACID ISOBUTYL ESTER 94-14-4 C11H15NO2
4-ISO-PROPYLCYCLOHEXANOL 4-ISO-PROPYLCYCLOHEXANOL 4621-04-9 C9H18O
Dihydroactinidiolide Dihydroactinidiolide 17092-92-1 C11H16O2
2,4,5-TRIMETHYL-3-OXAZOLINE 2,4,5-TRIMETHYL-3-OXAZOLINE 22694-96-8 C6H11NO
1,2-Butanedithiol 1,2-Butanedithiol 16128-68-0 C4H10S2
3-HEPTEN-2-ONE 3-HEPTEN-2-ONE 1119-44-4 C7H12O
3-OCTANOL 3-OCTANOL 20296-29-1 C8H18O
TRANS,TRANS-2,4-HEPTADIENAL TRANS,TRANS-2,4-HEPTADIENAL 5910-85-0 C7H10O
(2-Methoxyethyl)benzene (2-Methoxyethyl)benzene 3558-60-9 C9H12O
3-(Methylthio)propyl acetate 3-(Methylthio)propyl acetate 16630-55-0 C6H12O2S
2-Nonenal 2-Nonenal 2463-53-8 C9H16O
1,2,3,6-Tetrahydro-4-phenyl-pyridine 1,2,3,6-Tetrahydro-4-phenyl-pyridine 10338-69-9 C11H13N
2-N-HEXYLCYCLOPENTANONE 2-N-HEXYLCYCLOPENTANONE 13074-65-2 C11H20O
CIS-3-HEXENYL ANTHRANILATE CIS-3-HEXENYL ANTHRANILATE 65405-76-7 C13H17NO2
3,5-DIMETHYL-2-ETHYLPYRAZINE 3,5-DIMETHYL-2-ETHYLPYRAZINE 13925-07-0 C8H12N2
1-METHYLTHIO-2-PROPANONE 1-METHYLTHIO-2-PROPANONE 14109-72-9 C4H8OS
2-Pentanethiol 2-Pentanethiol 2084-19-7 C5H12S
2-Ethyl-5-methylpyrazine 2-Ethyl-5-methylpyrazine 13360-64-0 C7H10N2
2-ISOPROPYLPYRAZINE 2-ISOPROPYLPYRAZINE 29460-90-0 C7H10N2
ALLYL BUTYRATE ALLYL BUTYRATE 2051-78-7 C7H12O2
3,4,5-Trimethoxycinnamic acid 3,4,5-Trimethoxycinnamic acid 90-50-6 C12H14O5
JasMonyl JasMonyl 1322-17-4 C11H22O3
4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE 4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE 10276-21-8 C9H14O2
CIS-4-HEPTENAL CIS-4-HEPTENAL 6728-31-0 C7H12O
trans,trans-2,4-Undecadienal trans,trans-2,4-Undecadienal 30361-29-6 C11H18O
3-CARENE 3-CARENE 13466-78-9 C10H16
BENZYL ISOVALERATE BENZYL ISOVALERATE 103-38-8 C12H16O2
P-TOLYL ISOBUTYRATE P-TOLYL ISOBUTYRATE 103-93-5 C11H14O2
TRANS-2-HEXENYL BUTYRATE TRANS-2-HEXENYL BUTYRATE 53398-83-7 C10H18O2
FEMA 2079 FEMA 2079 638-25-5 C13H26O2
BUTYL VALERATE BUTYL VALERATE 591-68-4 C9H18O2
BENZYL BUTYL ETHER BENZYL BUTYL ETHER 588-67-0 C11H16O
Methyl allyl trisulfide Methyl allyl trisulfide 34135-85-8 C4H8S3
Strawberry flavour Strawberry flavour
CEDRENE, (-)-alpha-(SG) CEDRENE, (-)-alpha-(SG)
(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
4-Methylmorpholine N-oxide 4-Methylmorpholine N-oxide 7529-22-8 C5H11NO2
Pyrrolidine Hydriodide Pyrrolidine Hydriodide 45361-12-4 C4H10IN
(R)-3-Hydroxypyrrolidine (R)-3-Hydroxypyrrolidine 2799-21-5 C4H9NO
3-Hydroxypiperidine 3-Hydroxypiperidine 6859-99-0 C5H11NO
4-METHYLNONANOIC ACID 4-METHYLNONANOIC ACID 45019-28-1 C10H20O2
2-FURFURYL THIOPYRAZINE 2-FURFURYL THIOPYRAZINE 164352-93-6 C9H8N2OS
2,6-Dimethyl-2-heptanol 2,6-Dimethyl-2-heptanol 13254-34-7 C9H20O
(S)-Isobutyl-2-chloropropanoate (S)-Isobutyl-2-chloropropanoate 83261-15-8 C7H13ClO2
3-Bromocinnamaldehyde 3-Bromocinnamaldehyde 97985-66-5 C9H7BrO
3-Methoxycinnamic acid 3-Methoxycinnamic acid 6099-04-3 C10H10O3
7-BroMo-2-chlorobenzothiazole 7-BroMo-2-chlorobenzothiazole 1188227-29-3 C7H3BrClNS
3-Fluorocinnamic acid 3-Fluorocinnamic acid 20595-30-6 C9H7FO2
ISOAMYL LAURATE ISOAMYL LAURATE 6309-51-9 C17H34O2
3-COUMARANONE 3-COUMARANONE 7169-34-8 C8H6O2
4-Hydroxy-3,5-dimethoxycinnamic acid 4-Hydroxy-3,5-dimethoxycinnamic acid 530-59-6 C11H12O5
1,4-Dithiane 1,4-Dithiane 505-29-3 C4H8S2
CITRONELLYL BUTYRATE CITRONELLYL BUTYRATE 141-16-2 C14H26O2
1,1-Diethoxy-3,7-dimethylocta-2,6-diene 1,1-Diethoxy-3,7-dimethylocta-2,6-diene 7492-66-2 C14H26O2
3-Chlorocinnamic acid 3-Chlorocinnamic acid 1866-38-2 C9H7ClO2
(+)-Fenchol (+)-Fenchol 2217-02-9 C10H18O
(+)-LONGIFOLENE (+)-LONGIFOLENE 475-20-7 C15H24
3-(2-Furyl)acrylic acid 3-(2-Furyl)acrylic acid 539-47-9 C7H6O3
ACETOACETIC ACID N-BUTYL ESTER ACETOACETIC ACID N-BUTYL ESTER 591-60-6 C8H14O3
Methyl 2-hexenoate Methyl 2-hexenoate 2396-77-2 C7H12O2
(+)-BETA-CEDRENE (+)-BETA-CEDRENE 546-28-1 C15H24
CIS-3-HEXENYL CIS-3-HEXENOATE CIS-3-HEXENYL CIS-3-HEXENOATE 61444-38-0 C12H20O2
Olean-12-en-28-oic acid, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,16,23-tetrahydroxy-, O-D-apio-β-D-furanosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (2β,3β,4α,6β,16α)- Olean-12-en-28-oic acid, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,16,23-tetrahydroxy-, O-D-apio-β-D-furanosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (2β,3β,4α,6β,16α)- 144425-21-8 C63H102O33
C-(4-BROMO-PYRIDIN-2-YL)-METHYLAMINE C-(4-BROMO-PYRIDIN-2-YL)-METHYLAMINE 865156-50-9 C6H7BrN2
trans-2-Nonen-1-ol trans-2-Nonen-1-ol 31502-14-4 C9H18O
Citronellyl nitrile Citronellyl nitrile 51566-62-2 C10H17N
4-Benzylpiperidine 4-Benzylpiperidine 31252-42-3 C12H17N
2-FLUOROCINNAMALDEHYDE 2-FLUOROCINNAMALDEHYDE 149733-71-1 C9H7FO
2,4-DIMETHYL-3-CYCLOHEXENECARBOXALDEHYDE 2,4-DIMETHYL-3-CYCLOHEXENECARBOXALDEHYDE 68039-49-6 C9H14O
Lyral Lyral 31906-04-4 C13H22O2
2-Methylcinnamic acid 2-Methylcinnamic acid 2373-76-4 C10H10O2
BENZYL TIGLATE BENZYL TIGLATE 37526-88-8 C12H14O2
1-Acetylimidazole 1-Acetylimidazole 2466-76-4 C5H6N2O
α-Bromocinnamaldehyde α-Bromocinnamaldehyde 5443-49-2 C9H7BrO
Diethyl malate Diethyl malate 7554-12-3 C8H14O5
FEMA 3148 FEMA 3148 3025-30-7 C12H20O2
TRANS,CIS-2,6-NONADIEN-1-OL TRANS,CIS-2,6-NONADIEN-1-OL 28069-72-9 C9H16O
Isooctyl acetate Isooctyl acetate 31565-19-2 C10H20O2
N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide 6021-21-2 C16H13Cl2NO2
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