Flavor Demo Formulas |
[(Z)-hex-3-enyl] hexanoate (Click)
IUPAC Name: [(Z)-hex-3-enyl] hexanoate
Std.InChI: InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
InChI: InChI=1/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
Std.InChIKey: RGACQXBDYBCJCY-ALCCZGGFSA-N
InChIKey: RGACQXBDYBCJCY-ALCCZGGFBZ
SMILES: CCCCCC(=O)OCC/C=C\CC
|
CAS Number: | 31501-11-8 |
% from: | 98.00% to 99.90% |
ECHA EC Number: | 250-662-0 |
FDA UNII: | UYX8RFU917 |
Beilstein Number: | 2326469 |
MDL: | MFCD00036552 |
FEMA Number: | 3403 |
CoE Number: | 11779 |
XlogP3-AA: | 3.80 (est) |
Molecular Weight: | 198.30574000 |
Formula: | C12 H22 O2 |
NMR Predictor: | Predict |
Also(can) Contains: | (E)-3-hexen-1-yl hexanoate 0.10% to 2.00% |
Category: | flavor and fragrance agents |
|
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
Google Scholar: | Search |
Google Books: | Search |
Google Scholar: with word "volatile" | Search |
Google Scholar: with word "flavor" | Search |
Google Scholar: with word "odor" | Search |
Perfumer and Flavorist: | Search |
Google Patents: | Search |
US Patents: | Search |
EU Patents: | Search |
Pubchem Patents: | Search |
PubMed: | Search |
NCBI: | Search |
JECFA Food Flavoring: | 165 cis-3-hexenyl hexanoate |
Flavis Number: | 09.271 (Old) |
EU SANCO Food Flavourings: | 09.271 (Z)-hex-3-enyl hexanoate
|
FEMA Number: | 3403 cis-3-hexenyl hexanoate |
FDA Mainterm: | CIS-3-HEXENYL HEXANOATE |
Physical Properties:
Appearance: | colorless clear liquid (est) |
Assay: | 98.00 to 100.00 % sum of isomers
|
Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.87500 to 0.88300 @ 25.00 °C.
|
Pounds per Gallon - (est).: | 7.281 to 7.347
|
Refractive Index: | 1.43300 to 1.43900 @ 20.00 °C.
|
Boiling Point: | 115.00 °C. @ 15.00 mm Hg
|
Boiling Point: | 222.00 to 224.00 °C. @ 760.00 mm Hg
|
Vapor Pressure: | 0.016000 mm/Hg @ 25.00 °C. (est) |
Vapor Density: | 6.8 ( Air = 1 ) |
Flash Point: | 220.00 °F. TCC ( 104.44 °C. )
|
logP (o/w): | 4.438 (est) |
Shelf Life: | 18.00 month(s) or longer if stored properly. |
Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
Organoleptic Properties:
Odor Type: | green |
Odor Strength: | medium |
Odor Description: at 100.00 %. | fruity green waxy pear winey tropical grassy pineapple Luebke, William tgsc, (2009) |
Odor sample from: | Bedoukian Research, Inc. |
Odor Description: at 2.00 %. | Fruity, waxy, green, fatty, tropical and pulpy with a winey, balsamic nuance Mosciano, Gerard P&F 22, No. 6, 41, (1997) |
Taste Description: at 5.00 ppm. | Green, fruity, fatty, tropical and pulpy with citrus and green nuances Mosciano, Gerard P&F 22, No. 6, 41, (1997) |
Substantivity: | 8 hour(s) at 100.00 % |
| |
Cosmetic Information:
Suppliers:
A.C.S. International |
cis-3-Hexenyl Hexanoate
|
Advanced Biotech |
cis-3-HEXENYL CAPROATE NATURAL
98% min. Odor: Fruity, Green |
Alfrebro |
cis-3-HEXENYL CAPROATE NATURAL
Odor: Diffusive, Green, Fruity, Pear |
Apiscent Labs |
C3 HEXENYL HEXANOATE (CAPROATE)
Odor: Powerful, diffusive fruity, green odor: reminiscent of pear |
Apple Flavor & Fragrance |
cis-3-Hexenyl hexanoate
|
Aurochemicals |
cis-3-HEXENYL CAPROATE, Natural
|
Axxence Aromatic |
CIS-3-HEXENYL HEXANOATE (CAPROATE), Natural
Kosher |
Bedoukian Research |
cis-3-HEXENYL CAPROATE (HEXANOATE)
≥98.0% (cis), Kosher Odor: Fruity, green pear-like odor with vegetable notes Use: Can be used to modify cis-3-hexenyl acetate or as part of fruity-green topnote complexes. Flavor: green fruity To enhance pulpiness particularly in pineapple, melon, apple and tropical flavors. |
Berjé |
cis-3-Hexenyl Hexanoate
|
CG Herbals |
cis-3-Hexenyl Caproate
|
Charkit Chemical |
HEXENYL HEXANOATE, CIS-3-
|
CTC Organics |
cis-3-hexenyl hexanoate
|
Ernesto Ventós |
CIS-3-HEXENYL HEXANOATE NATURAL FIRMENICH 925004
Odor: FRUITY-GREEN, PEAR-LIKE, FATTY |
Ernesto Ventós |
CIS-3-HEXENYL HEXANOATE
Odor: POWERFUL, DIFFUSIVE FRUITY-GREEN |
Firmenich |
cis-3-Hexenyl Hexanoate Nat
min. 90%, Kosher, Halal Flavor: Green, fruity and fatty notes cis-3-HEXENYL HEXANOATE brings tropical and pulpy profile with citrus and green nuances to all kinds of fruit flavors. |
Firmenich |
cis-3-Hexenyl Hexanoate
Flavor: Green, fruity and fatty notes |
Fleurchem |
cis-3-hexenyl caproate natural
|
Frutarom |
cis-3-HEXENYL HEXANOATE
≥98.00% (sum of isomers), NI, Kosher Odor: Fruity, Green, Pear, Sweet, Waxy Use: Suggested Uses: Apple, Citrus Fruits, Hard Fruits, Mango, Orange, Soft Fruits, Strawberry, Tropical Fruits |
Grau Aromatics |
HEXENYL-cis-3-CAPROATE (HEXENYL-cis-3-HEXANOATE)
NI, Kosher |
Indukern F&F |
CIS-3-HEXENYL CAPROATE
Odor: POWERFUL, FRUITY, GREEN |
Lluch Essence |
cis-3-HEXENYL CAPROATE NATURAL
|
Lluch Essence |
cis-3-HEXENYL CAPROATE
|
M&U International |
cis-3-HEXENYL HEXANOATE, Kosher
|
Mooreganics |
Cis-3-Hexenyl Caproate Natural
(Organic Compliant) Odor: Fruity, green pear like |
Natural Advantage |
cis-3-Hexenyl Hexanoate
|
PCW France |
cis-3-Hexenyl Hexanoate
|
Penta International |
cis-3-HEXENYL CAPROATE, Kosher
| Penta International |
cis-3-HEXENYL CAPROATE, NATURAL, Kosher
| Reincke & Fichtner |
cis-3-Hexenyl Caproate
|
Riverside Aromatics |
cis -3-Hexenyl Hexanoate, Natural
|
Robertet |
HEXENYL CIS-3 HEXANOATE (CAPROATE)
Pure & Nat (EU) |
Crops calendar |
SAFC Global |
cis-3-Hexenyl hexanoate
≥98%, Kosher, FG Odor: apple; green; vegetable |
SRS Aromatics |
HEXENYL CIS 3 CAPROATE
|
Taytonn |
Cis-3-Hexenyl Hexanoate
Odor: Fruity, Green, Sweet, Waxy |
The Lermond Company |
cis-3-Hexenyl Hexanoate
|
Treatt |
cis-3-Hexenyl Hexanoate
|
Vigon International |
Hexenyl cis-3 Caproate Natural
|
ZEON Chemicals |
cis-3-Hexenyl caproate
|
Safety Information:
European information : |
Most important hazard(s): | None - None found. |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
|
|
Hazards identification |
|
Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
|
Pictogram | |
|
Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: | |
oral-rat LD50 > 5000 mg/kg (Moreno, 1978b)
oral-rat LDLo 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 45S, 1992.
|
Dermal Toxicity: | |
skin-rabbit LD50 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 45S, 1992.
|
Inhalation Toxicity: | |
Not determined
|
Safety in Use Information:
Category: | flavor and fragrance agents |
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.21 (μg/capita/day) |
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3724 (μg/person/day) |
Threshold of Concern: | 1800 (μg/person/day) |
Recommendation for (Z)-3-hexen-1-yl hexanoate usage levels up to: | | 12.0000 % in the fragrance concentrate.
|
Recommendation for (Z)-3-hexen-1-yl hexanoate flavor usage levels up to: | | 50.0000 ppm in the finished product.
|
|
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| average usage mg/kg | maximum usage mg/kg |
Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 |
Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 |
Processed fruit (04.1): | 7.00000 | 35.00000 |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
Confectionery (05.0): | 10.00000 | 50.00000 |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 |
Bakery wares (07.0): | 10.00000 | 50.00000 |
Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 |
Eggs and egg products (10.0): | - | - |
Sweeteners, including honey (11.0): | - | - |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 |
Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - |
Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 |
Safety References:
References:
Other Information:
Potential Blenders and core components note
| acetaldehyde benzyl 2-methoxyethyl acetal | FL/FR |
| acetaldehyde dihexyl acetal | FL/FR |
| acetaldehyde methyl hexyl acetal | FR |
| acetyl butyryl | FL/FR |
| allyl amyl glycolate | FR |
| allyl butyrate | FL/FR |
| allyl cyclohexyl hexanoate | FL/FR |
| allyl nonanoate | FL/FR |
| allyl octanoate | FL/FR |
| allyl tiglate | FL |
iso | amyl acetoacetate | FL/FR |
iso | amyl benzoate | FL/FR |
iso | amyl butyrate | FL/FR |
alpha- | amyl cinnamaldehyde diethyl acetal | FR |
| amyl hexanoate | FL/FR |
iso | amyl isovalerate | FL/FR |
iso | amyl laurate | FL/FR |
| amyl octanoate | FL/FR |
iso | amyl octanoate | FL/FR |
iso | amyl tiglate | FL/FR |
2- | amyl-5 or 6-keto-1,4-dioxane | FL |
| benzaldehyde dimethyl acetal | FL/FR |
| benzyl octanoate | FL/FR |
| berry pentadienoate | FL/FR |
| butyl 2-methyl butyrate | FL/FR |
iso | butyl acetoacetate | FL/FR |
| butyl angelate | FL/FR |
| butyl anthranilate | FL/FR |
| butyl hexanoate | FL/FR |
| butyl isobutyrate | FL/FR |
iso | butyl propionate | FL/FR |
| butyl undecylenate | FL/FR |
iso | butyl undecylenate | FL/FR |
iso | butyraldehyde propylene glycol acetal | FL |
| cherry pentenoate | FL/FR |
| citronellyl propionate | FL/FR |
| clary sage concrete | FL/FR |
| coconut absolute | FL/FR |
| cognac heptanone | FL/FR |
green | cognac oil | FL/FR |
white | cognac oil | FL/FR |
beta- | cyclocitral | FL/FR |
2- | cyclopentyl cyclopentanone | FL/FR |
gamma- | damascone | FR |
2,4- | decadienal | FL |
alpha- | decalactone | FL/FR |
3- | decen-2-one | FL/FR |
9- | decenoic acid | FL/FR |
| decyl propionate | FL/FR |
| diethyl 1-malate | FL |
| diethyl laevo-tartrate | FL/FR |
| diethyl malate | FL/FR |
| diethyl malonate | FL/FR |
| diethyl sebacate | FL/FR |
| dihydroxyacetophenone (mixed isomers) | FL |
| dimethyl anthranilate | FL/FR |
| dimethyl succinate | FL/FR |
6,8- | dimethyl-2-nonanol | FR |
(E,E)-2,4- | dodecadien-1-ol | FR |
| dodecanal (aldehyde C-12 lauric) | FL/FR |
| dodecanal dimethyl acetal | FL/FR |
| epoxy-2-decenal | FL |
| ethyl (E)-2-hexenoate | FL/FR |
| ethyl (E)-2-octenoate | FL |
| ethyl (E)-4-decenoate | FL/FR |
| ethyl 2-cyclohexyl propionate | FR |
| ethyl 2-octenoate | FL/FR |
| ethyl 3-acetoxyhexanoate | FL/FR |
| ethyl 3,5,5-trimethyl hexanoate | FR |
| ethyl acetoacetate | FL/FR |
| ethyl aconitate | FL |
| ethyl chrysanthemate | FR |
| ethyl heptanoate | FL/FR |
| ethyl hexanoate | FL/FR |
| ethyl methyl-para-tolyl glycidate | FL/FR |
| ethyl nonanoate | FL/FR |
| ethyl octanoate | FL/FR |
3- | methyl-1-pentanol | FL/FR |
| farnesyl acetone | FL/FR |
| fresh carbaldehyde | FR |
| furfuryl hexanoate | FL |
| furfuryl propionate | FL |
| geranyl acetoacetate | FL/FR |
(E)- | geranyl acetone | FL/FR |
| geranyl isovalerate | FL/FR |
| green dioxolane | FR |
(E,E)-2,4- | heptadienal | FL |
(E,E)-2,4- | heptadien-1-ol | FL |
| heptanal (aldehyde C-7) | FL/FR |
| heptanal cyclic ethylene acetal | FR |
| heptanal cyclic propylene acetal | FL/FR |
2- | heptanol | FL/FR |
3- | heptanone | FL/FR |
(Z)-4- | heptenal | FL/FR |
2- | heptenal | FL/FR |
(E)-2- | hepten-1-yl acetate | FL/FR |
2- | heptyl furan | FL/FR |
| heptyl isobutyrate | FL/FR |
| hexanal (aldehyde C-6) | FL/FR |
| hexanal butane-2,3-diol acetal | FL |
| hexanal octane-1,3-diol acetal | FL |
| hexanal propylene glycol acetal | FL/FR |
2- | hexanol | FL/FR |
2- | hexenal | FL |
(E)-2- | hexenal diethyl acetal | FL |
2- | hexenal diethyl acetal | FL |
2- | hexen-1-ol | FL/FR |
(Z)-3- | hexen-1-yl (E)-2-hexenoate | FL/FR |
(Z)-3- | hexen-1-yl 2-methyl-2-pentenoate | FR |
(E)-2- | hexen-1-yl acetate | FL/FR |
(E)-3- | hexen-1-yl acetate | FL/FR |
(Z)-3- | hexen-1-yl acetate | FL/FR |
2- | hexenyl acetate | FL/FR |
(Z)-3- | hexen-1-yl butyrate | FL/FR |
(E)-2- | hexen-1-yl formate | FL/FR |
(E)-2- | hexen-1-yl hexanoate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
(Z)-3- | hexen-1-yl isovalerate | FL/FR |
(E)-2- | hexen-1-yl propionate | FL/FR |
(E)-2- | hexen-1-yl valerate | FL/FR |
(Z)-3- | hexen-1-yl valerate | FL/FR |
1- | hexen-3-yl acetate | FL |
| hexyl (E)-2-hexenoate | FL |
| hexyl (E)-tiglate | FL/FR |
| hexyl acetate | FL/FR |
| hexyl butyrate | FL/FR |
alpha- | hexyl cinnamaldehyde dimethyl acetal | FR |
| hexyl isobutyrate | FL/FR |
| hexyl isovalerate | FL/FR |
| hexyl octanoate | FL/FR |
| hexyl phenyl acetate | FL/FR |
| hexyl pivalate | FR |
| hexyl propionate | FL/FR |
| lily propanol | FR |
| linalyl hexanoate | FL/FR |
| mango thiol | FL/FR |
| methyl (E)-2-hexenoate | FL/FR |
| methyl (E)-3-nonenoate | FL |
| methyl 2-(methyl thio) butyrate | FL |
| methyl 2-hexenoate | FL/FR |
| methyl 2-methyl butyrate | FL/FR |
| methyl 2-undecynoate | FL |
| methyl 3-nonenoate | FL/FR |
| methyl 4-pentenoate | FL |
| methyl decanoate | FL/FR |
(E)- | methyl geranate | FL/FR |
| methyl heptanoate | FL/FR |
| methyl hydrocinnamate | FL/FR |
| methyl nonanoate | FL/FR |
2- | methyl valeraldehyde | FL/FR |
| methyl valerate | FL/FR |
3- | methyl valeric acid | FL |
2- | methyl-1-butanol | FL/FR |
3- | methyl-2-cyclopenten-1-one | FL |
3-(5- | methyl-2-furyl) butanal | FL |
(E)-2- | methyl-2-octenal | FL |
2- | methyl-2-octen-1-al | FL |
3- | methyl-3-pentanol | FL |
| nerolidyl isobutyrate | FR |
(E,Z)-2,6- | nonadienal | FL/FR |
2,4- | nonadienal | FL |
(E,Z)-3,6- | nonadien-1-ol | FL/FR |
2,4- | nonadien-1-ol | FL/FR |
(E)-2- | nonenal | FL/FR |
| nonyl acetate | FL/FR |
beta- | ocimene | FL/FR |
(E,E)-2,4- | octadienal | FL |
(E,E)-3,5- | octadien-2-one | FL |
(E)-2- | octenal | FL/FR |
2- | octenal | FL/FR |
(Z)-3- | octen-1-ol | FL/FR |
(E)-2- | octen-1-yl acetate | FL/FR |
| octen-1-yl cyclopentanone | FL/FR |
| octyl 2-methyl butyrate | FL/FR |
| octyl heptanoate | FL/FR |
| papaya isobutyrate | FL/FR |
2- | pentanone | FL/FR |
(E)-2- | pentenal | FL/FR |
2- | pentyl furan | FL/FR |
| petal pyranone | FL/FR |
| phenethyl senecioate | FL/FR |
| phenoxyethyl isobutyrate | FL/FR |
4- | phenyl-2-butyl acetate | FL/FR |
| pineapple pentenoate | FL/FR |
iso | propyl 2-methyl butyrate | FL/FR |
| propyl heptanoate | FL/FR |
| propyl hexanoate | FL/FR |
alpha-iso | propyl phenyl acetaldehyde | FL/FR |
| propylene acetal | FL/FR |
| rhubarb undecane | FR |
| rose butanoate | FL/FR |
| sorbyl butyrate | FL/FR |
| sorbyl isobutyrate | FL/FR |
| sorbyl propionate | FL |
| terpinyl cinnamate | FL/FR |
| tetrahydrofurfuryl butyrate | FL/FR |
| thiogeraniol | FL/FR |
| verdoxan | FR |
| tricyclodecyl acetate | FR |
| tropical indene | FR |
2- | tropical oxathiane | FL/FR |
| tropical thiazole | FL/FR |
gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
| undecanal (aldehyde C-11 undecylic) | FL/FR |
| valeraldehyde diethyl acetal | FL |
iso | valeraldehyde diethyl acetal | FL/FR |
| violet dienyne | FR |
| woody acetate | FR |
Potential Uses:
Natural Occurrence in: note
Synonyms:
(3Z)- | hex-3-en-1-yl hexanoate | (Z)- | hex-3-enyl hexanoate | [(Z)- | hex-3-enyl] hexanoate | | hexanoic acid (Z)-hex-3-en-1-yl ester | (Z)- | hexanoic acid 3-hexen-1-yl ester | cis- | hexanoic acid 3-hexen-1-yl ester | | hexanoic acid, (3Z)-3-hexen-1-yl ester | | hexanoic acid, (3Z)-3-hexenyl ester | cis- | hexanoic acid, 3-hexenyl ester | | hexanoic acid, 3-hexenyl ester, (Z)- | cis-3- | hexen-1-ol hexanoate | (Z)-3- | hexen-1-yl caproate | cis-3- | hexen-1-yl caproate | (Z)-3- | hexen-1-yl hexanoate | cis-3- | hexen-1-yl hexanoate | cis-3- | hexen-1-yl hexoate | (Z)-3- | hexenyl caproate | cis-3- | hexenyl caproate | cis-3- | hexenyl caproate (hexanoate) | cis-3- | hexenyl caproate natural | cis-3- | hexenyl caproate, natural | | hexenyl cis-3 caproate natural | | hexenyl cis-3 hexanoate (caproate) | (Z)-3- | hexenyl hexanoate | cis-3- | hexenyl hexanoate | C3 | hexenyl hexanoate (caproate) | cis-3- | hexenyl hexanoate (caproate), natural | 3- | hexenyl hexanoate, (Z)- | 3- | hexenyl hexanoate, cis- | cis-3- | hexenyl hexoate | | hexenyl-cis-3-caproate (hexenyl-cis-3-hexanoate) |
Articles:
|
|