(Z)-3-hexen-1-yl acetoacetate
cis-3-hexenyl acetoacetate

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  CODE146864 CODE146864
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  84434-20-8 (Z)-hex-3-enyl acetoacetate

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Name: [(Z)-hex-3-enyl] 3-oxobutanoate CAS Number: 84434-20-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 282-820-0 FDA UNII: 70D608M0TD Nikkaji Web: J297.678A XlogP3: 1.60 (est) Molecular Weight: 184.23512000 Formula: C10 H16 O3 NMR Predictor: Predict (works with chrome, Edge or firefox) 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: 1974 cis-3-hexenyl acetoacetate FEMA Number: 4489 cis-3-hexenyl acetoacetate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 84434-20-8 ; CIS-3-HEXENYL ACETOACETATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 93.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.98000 to 0.99000 @ 20.00 °C. Pounds per Gallon - (est).: 8.164 to 8.247 Refractive Index: 1.44500 to 1.45500 @ 20.00 °C. Boiling Point: 254.00 to 255.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.017000 mmHg @ 25.00 °C. (est) Flash Point: 221.00 °F. TCC ( 105.00 °C. ) logP (o/w): 2.423 (est) Soluble in:   alcohol   water, 2511 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note amyl acetoacetate isoamyl acetoacetate para-anisyl acetoacetate benzyl acetoacetate bergamot acetoacetate butyl acetoacetate isobutyl acetoacetate cinnamyl acetoacetate cyclohexyl acetoacetate dodecyl acetoacetate ethyl 2-ethyl acetoacetate ethyl acetoacetate geranyl acetoacetate heptyl acetoacetate hexyl acetoacetate jasmin acetoacetate laevo-menthyl acetoacetate methyl acetoacetate spicy acetoacetate   Organoleptic Properties: Odor Type: green earthy green floral Odor Description:at 100.00 %. earthy green floral Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. Butanoic acid, 3-oxo-,(3Z)-3-hexenyl ester (9CI) BOC Sciences For experimental / research use only. (Z)-hex-3-enyl acetoacetate Inoue Perfumery CIS-3-HEXENYL ACETOACETATE Parchem (Z)-3-hexen-1-yl acetoacetate Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   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: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for (Z)-3-hexen-1-yl acetoacetate usage levels up to:   1.0000 % in the fragrance concentrate.   Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 24 Click here to view publication 24   average usual ppm average maximum ppm baked goods: 15.00000 160.00000 beverages(nonalcoholic): 8.00000 80.00000 beverages(alcoholic): 5.00000 50.00000 breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 8.00000 80.00000 fruit ices: - - gelatins / puddings: 8.00000 80.00000 granulated sugar: - - gravies: - - hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: 10.00000 100.00000 soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :20836219 National Institute of Allergy and Infectious Diseases:Data [(Z)-hex-3-enyl] 3-oxobutanoate Chemidplus:0084434208   References:   [(Z)-hex-3-enyl] 3-oxobutanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 84434-20-8 Pubchem (cid): 20836219 Pubchem (sid): 135210212   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): Search ChemSpider: View FAO: cis-3-Hexenyl acetoacetate   Potential Blenders and core components note For Odor aldehydic iso butyraldehyde FL/FR 6,7,8- decen-1-ol FR dodecanal (aldehyde C-12 lauric) FL/FR 3- methyl-4-hexyl oxybutyraldehyde FR balsamic iso amyl benzoate FL/FR benzyl salicylate FL/FR bornyl formate FL/FR cinnamyl formate FL/FR caramellic 2-iso butyl-3-methyl pyrazine FL/FR citrus bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR citral dimethyl acetal FL/FR citrus floral green fragrance FR 2,4- dimethyl-3-cyclohexene-1-methanyl acetate FR 2- heptanol FL/FR nonanal dimethyl acetal FL/FR (E)-2- tetradecenal FL/FR 2- tetradecenal FL/FR coconut delta- heptalactone FL/FR earthy 1- nonen-3-ol FL/FR 2- octanone oxime FR 1- octen-3-ol FL/FR ethereal 2- methyl valeraldehyde FL/FR fatty 2- decenal FL/FR methyl (E)-2-hexenoate FL/FR (Z)-3- octen-1-ol FL/FR floral acetaldehyde dibutyl acetal FL/FR amyl benzoate FL/FR amyl salicylate FL/FR iso amyl salicylate FL/FR anisyl propanal / methyl anthranilate schiff's base FR boronia concrete FL/FR alpha- butyl cinnamaldehyde FL/FR citronellyl acetate FL/FR citronellyl propionate FL/FR coriander seed oil CO2 extract FL/FR cumin carbinol FR dictamnus hispanicus oil FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR dihydroisojasmonate methyl ester FR dimethyl benzyl carbinol FL/FR dimethyl benzyl carbinyl butyrate FL/FR 6,8- dimethyl-2-nonanol FR ethyl phenoxyacetate FR farnesol FL/FR farnesyl acetate FL/FR floral butanal FR floral undecenone FR gardenia absolute FR gardenia acetal FR gardenia concrete FR geranium dihydropyran FR geranium oil FL/FR geranium oil africa FL/FR geranyl acetone FL/FR geranyl formate FL/FR geranyl nonanoate CS (Z)-4- hepten-2-yl salicylate FR (Z)-3- hexen-1-yl salicylate FL/FR alpha- hexyl cinnamaldehyde FL/FR hexyl lactate FL/FR hyacinth oil FR hydrangea fragrance FR hydroxycitronellal diethyl acetal FL/FR hydroxycitronellal propylene glycol acetal FL/FR jasmin cyclopentanol FR jonquil absolute FR leerall FR lilac absolute FR lily fragrance FR lily propanol FR lilyall FR linalool oxide FL/FR linalyl phenyl acetate FL/FR lotus fragrance FR magnolia indene FR (2- methoxy-1-methyl propyl) benzene FR (3- methoxy-2-methyl propyl) benzene FR 1-(2- methyl allyl oxy)-2-methyl butane FR mimosa absolute FL/FR mimosa absolute france FL/FR mimosa absolute india FL/FR muguet dienal FR nerol FL/FR neroli oil CO2 extract FL/FR nerolidol FL/FR (E)- nerolidol FL/FR ocean propanal FL/FR ocean propanal / methyl anthranilate schiff's base FR octyl acetate FL/FR orange leaf absolute FL/FR bitter orangeflower absolute tunisia FL/FR orchid specialty FR papaya isobutyrate FL/FR phenyl acetaldehyde dicitronellyl acetal FR phenyl acetaldehyde diisobutyl acetal FL/FR 2- phenyl propionaldehyde ethylene glycol acetal FR 2- phenyl propyl acetate FL/FR rhodinyl formate FL/FR rose butanoate FL/FR laevo- rose oxide FL/FR (Z)- rose oxide FL/FR rose pyran FR (R)- styralyl alcohol FL/FR styralyl formate FL/FR sweet pea absolute FR terpinyl isobutyrate FL/FR 5- tricyclodecenyl acetate FR verdyl acetate FR violet methyl carbonate FR ylang ylang flower oil III FL/FR fresh 3-(3- propen-2-yl phenyl) butanal FR fruity allyl amyl glycolate FR allyl butyrate FL/FR iso amyl butyrate FL/FR amyl formate FL/FR iso amyl isovalerate FL/FR iso amyl octanoate FL/FR benzyl methyl ether FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR citronellyl isobutyrate FL/FR cyclohexyl crotonate FR 2- cyclopentyl cyclopentanone FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl acetoacetate FL/FR ethyl methyl-para-tolyl glycidate FL/FR green acetate FR heptanal cyclic ethylene acetal FR 2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR peach pivalate FR 2- pentyl furan FL/FR pineapple pentenoate FL/FR prenol FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR iso propyl 2-methyl butyrate FL/FR rhubarb undecane FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical ionone FL/FR tropical thiazole FL/FR fungal jasmin nonane FR green iso amyl 3-(2-furan) propionate FL/FR iso amyl formate FL/FR iso butyl benzyl carbinol FL/FR chrysanthemum oxide FL/FR cumin acetaldehyde FL/FR alpha- decalactone FL/FR alpha,alpha- dimethyl benzyl alcohol FL/FR 3,7- dimethyl-6-octenoic acid FL/FR earthy acetal FL/FR ethyl (E)-2-decenoate FL/FR ferula galbaniflua gum extract FL/FR flower hexene FR galbanum resinoid replacer FR geranium absolute FL/FR green cyclopropionate FR (Z)-3- hepten-1-ol FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl angelate FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR hexen-1-yl oxypropane nitrile FR hexyl (Z)-tiglate FL/FR hexyl octanoate FL/FR hyacinth absolute FL/FR ivy dioxolane FR (2- methoxy-1-methyl butyl) benzene FR [(4E,4Z)-5- methoxy-3-methyl-4-penten-1-yl] benzene FR methyl cyclocitrone (IFF) FR para- methyl hydratropaldehyde FL/FR methyl octine carbonate FL/FR 4- methyl-4-phenyl pentanone FR 2- nonanone oxime FR octanal dimethyl acetal FL/FR octyl oxyacetaldehyde FR pelargonium graveolens stem leaf extract FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde solution FL/FR rose furan epoxide FL/FR 2,4,8- trimethyl-5-oxatricyclo(6.2.1.0*2,6*)undecane FR violet dienyne FR herbal chrysanthemum ketone FR clary sage absolute FL/FR coriander oleoresin FL/FR dihexyl (E)-fumarate FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR linalyl acetate FL/FR 2- methyl butyl salicylate FL/FR (1S,5R)- myrtenyl acetate FL/FR phenyl acetaldehyde diisoamyl acetal FR medicinal kunzea ericoides leaf oil FR spicy cinnamyl isovalerate FL/FR cinnamyl propionate FL/FR iso cyclogeraniol (IFF) FR spicy carbonate FR tea camellia oleifera leaf extract FL/FR tropical beta- cyclocitral FL/FR waxy 3- decanone FL/FR octyl 2-methyl butyrate FL/FR woody verdoxan FR For Flavor No flavor group found for these acetaldehyde dibutyl acetal FL/FR amyl benzoate FL/FR benzyl disulfide FL bornyl formate FL/FR boronia concrete FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR 3- decanone FL/FR alpha,alpha- dimethyl benzyl alcohol FL/FR earthy acetal FL/FR ethyl 3-acetoxyhexanoate FL/FR (Z)-3- hepten-1-ol FL/FR 2- hexenal FL 2- hexenal diethyl acetal FL hexyl (E)-2-hexenoate FL hexyl (Z)-tiglate FL/FR hyacinth absolute FL/FR hydroxycitronellal propylene glycol acetal FL/FR linalyl phenyl acetate FL/FR methyl (E)-2-hexenoate FL/FR 2- methyl butyl salicylate FL/FR (E)-2- methyl-2-octenal FL 2- methyl-2-octenal FL 3- methyl-3-pentanol FL (E,E)-3,5- octadien-2-one FL phenyl acetaldehyde solution FL/FR 2- phenyl propyl acetate FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR rose furan epoxide FL/FR (R)- styralyl alcohol FL/FR styralyl formate FL/FR terpinyl isobutyrate FL/FR 2- tetradecenal FL/FR iso amyl 3-(2-furan) propionate FL/FR alpha- butyl cinnamaldehyde FL/FR aldehydic aldehydic iso butyraldehyde FL/FR alliaceous tropical thiazole FL/FR amber iso butyl benzyl carbinol FL/FR aromatic amyl salicylate FL/FR balsamic benzyl salicylate FL/FR camphoreous 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR citrus bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR citral dimethyl acetal FL/FR nerol FL/FR earthy 1- nonen-3-ol FL/FR estery ethyl acetoacetate FL/FR fatty 2- decenal FL/FR (Z)-3- octen-1-ol FL/FR floral cinnamyl propionate FL/FR citronellyl acetate FL/FR citronellyl propionate FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR dimethyl benzyl carbinyl butyrate FL/FR 3,7- dimethyl-6-octenoic acid FL/FR farnesol FL/FR farnesyl acetate FL/FR geranium oil FL/FR geranium oil africa FL/FR geranyl acetone FL/FR linalyl acetate FL/FR neroli oil CO2 extract FL/FR ocean propanal FL/FR orange leaf absolute FL/FR bitter orangeflower absolute tunisia FL/FR laevo- rose oxide FL/FR tropical ionone FL/FR ylang ylang flower oil III FL/FR fruity iso amyl benzoate FL/FR amyl formate FL/FR iso amyl octanoate FL/FR benzyl methyl ether FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl isovalerate FL/FR citronellyl isobutyrate FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-decenoate FL/FR ethyl (E)-2-octenoate FL ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl methyl-para-tolyl glycidate FL/FR furfuryl propionate FL 2- heptanol FL/FR 2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR hexyl lactate FL/FR methyl (E)-3-nonenoate FL methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR octen-1-yl cyclopentanone FL/FR pineapple pentenoate FL/FR prenol FL/FR iso propyl 2-methyl butyrate FL/FR rhodinyl formate FL/FR rose butanoate FL/FR tetrahydrofurfuryl butyrate FL/FR green allyl butyrate FL/FR iso amyl formate FL/FR iso amyl isovalerate FL/FR iso amyl salicylate FL/FR 2-iso butyl-3-methyl pyrazine FL/FR chrysanthemum oxide FL/FR cumin acetaldehyde FL/FR 3,4- dimethoxystyrene FL ferula galbaniflua gum extract FL/FR geranium absolute FL/FR geranyl formate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl salicylate FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl octanoate FL/FR horseradish oil FL linalool oxide FL/FR methyl 2-undecynoate FL para- methyl hydratropaldehyde FL/FR methyl octine carbonate FL/FR 4- methyl-2-pentenal FL nerolidol FL/FR (E)- nerolidol FL/FR nonanal dimethyl acetal FL/FR octanal dimethyl acetal FL/FR papaya isobutyrate FL/FR 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR propylene glycol acetone ketal FL (Z)- rose oxide FL/FR herbal clary sage absolute FL/FR coriander oleoresin FL/FR coriander seed oil CO2 extract FL/FR lactonic delta- heptalactone FL/FR medicinal dimethyl benzyl carbinol FL/FR melon hydroxycitronellal diethyl acetal FL/FR mushroom 1- octen-3-ol FL/FR rummy (E)-2- hexen-1-yl formate FL/FR soapy dodecanal (aldehyde C-12 lauric) FL/FR spicy cinnamyl formate FL/FR tea camellia oleifera leaf extract FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR waxy iso amyl butyrate FL/FR alpha- hexyl cinnamaldehyde FL/FR mimosa absolute FL/FR mimosa absolute france FL/FR mimosa absolute india FL/FR octyl 2-methyl butyrate FL/FR octyl acetate FL/FR octyl butyrate FL/FR (E)-2- tetradecenal FL/FR woody (1S,5R)- myrtenyl acetate FL/FR   Potential Uses: FL citrus FR earth FR floral FR fruit   grass FL green FR orchid   Occurrence (nature, food, other):note   not found in nature   Synonyms:   butanoic acid, 3-oxo-, 3-hexenyl ester, (Z)-   butanoic acid, 3-oxo-,(3z)-3-hexenyl ester (9ci) (3Z)- hex-3-en-1-yl 3-oxobutanoate (Z)- hex-3-enyl acetoacetate [(Z)- hex-3-enyl] 3-oxobutanoate cis-3- hexenyl acetoacetate   hexenyl oxanate   Articles:   None found yet. 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Notes: None found