hexyl (E)-2-hexenoate
hexyl trans-2-hexenoate

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  BOC Sciences

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  33855-57-1 FEMA 3692

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  Penta International Corporation

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  08-40600 HEXYL trans-2-HEXENOATE

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  Synerzine, Inc.

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  Synerzine is a leading supplier of flavor and fragrance ingredients.
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  W0823 hexyl trans-2-hexenoate

CAS Number: 33855-57-1 3D/inchi FDA UNII: 8H4V153HBP Nikkaji Web: J1.538.996F XlogP3-AA: 4.20 (est) Molecular Weight: 198.30574000 Formula: C12 H22 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: At least 92%; secondary component 6-8% hexyl trans-3-hexenoate. (EFSA) CASrn refers to (E)-isomer. Register name to be changed accordingly. Category:flavoring 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: 1810 hexyl trans-2-hexenoate DG SANTE Food Flavourings: 09.292 hexyl trans-2-hexenoate FEMA Number: 3692 hexyl trans-2-hexenoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 33855-57-1 ; HEXYL TRANS-2-HEXENOATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 92.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.88000 to 0.89000 @ 25.00 °C. Pounds per Gallon - (est).: 7.322 to 7.406 Refractive Index: 1.43900 to 1.44500 @ 20.00 °C. Boiling Point: 246.00 to 247.00 °C. @ 760.00 mm Hg Boiling Point: 121.00 to 123.00 °C. @ 10.00 mm Hg Vapor Pressure: 0.016800 mmHg @ 25.00 °C. (est) Flash Point: 245.00 °F. TCC ( 118.33 °C. ) logP (o/w): 5.036 (est) Soluble in:   alcohol   water, slightly   water, 5.496 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity fruity green fatty Odor Description:at 100.00 %. fruity green fatty Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. FEMA 3692 Parchem hexyl (E)-2-hexenoate Penta International HEXYL trans-2-HEXENOATE Synerzine hexyl trans-2-hexenoate   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: flavoring agents Recommendation for hexyl (E)-2-hexenoate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I 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: 13 Click here to view publication 13   average usual ppm average maximum ppm baked goods: - 5.00000 beverages(nonalcoholic): - 1.50000 beverages(alcoholic): - 3.00000 breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - 3.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - 2.50000 gelatins / puddings: - 3.00000 granulated sugar: - - gravies: - - hard candy: - 7.50000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - 2.50000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   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 Chewing gum (05.3): - - 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): 10.00000 50.00000 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: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008) View page or View pdf 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 :6435861 National Institute of Allergy and Infectious Diseases:Data hexyl (E)-hex-2-enoate Chemidplus:0033855571   References:   hexyl (E)-hex-2-enoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 33855-57-1 Pubchem (cid): 6435861 Pubchem (sid): 135018352   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): HMDB38269 FooDB: FDB017566 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E)- tiglaldehyde FL/FR aldehydic aldehydic dodecanal (aldehyde C-12 lauric) FL/FR octanal (aldehyde C-8) FL/FR undecanal FL/FR animal para- cresyl isobutyrate FL/FR methyl (E)-2-octenoate FL/FR balsamic iso amyl benzoate FL/FR guaiyl acetate FL/FR citrus 2- heptanol FL/FR 2- tetradecenal FL/FR ethereal cyclohexyl formate FL/FR 2- methyl valeraldehyde FL/FR fatty 3- decen-2-one FL/FR (E,Z)-2,6- dodecadienal FL/FR hexyl pivalate FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR 6- methyl-5-hepten-2-one propylene glycol acetal FL/FR 2- nonenal FL/FR (E)-2- nonenal FL/FR 2- octenal FL/FR (E)-2- octenal FL/FR fermented 3- methyl-1-pentanol FL/FR floral boronia absolute FL/FR citronellyl propionate FL/FR gamma- damascone FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR 6,8- dimethyl-2-nonanol FR (E)- geranyl acetone FL/FR geranyl formate FL/FR geranyl isobutyrate FL/FR hexyl lactate FL/FR hexyl nonanoate FL/FR (Z)- jasmone FL/FR para- methyl benzyl acetate FL/FR papaya isobutyrate FL/FR fruity acetaldehyde dihexyl acetal FL/FR allyl butyrate FL/FR iso amyl butyrate FL/FR amyl hexanoate FL/FR iso amyl isovalerate FL/FR iso amyl octanoate FL/FR berry pentadienoate FL/FR butyl 2-methyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl octanoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl acetoacetate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR ethyl hexanoate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR geranyl ethyl ether FL/FR geranyl isovalerate FL/FR 2- heptyl butyrate FL/FR heptyl isobutyrate FL/FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl 2-methyl-2-pentenoate FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl isovalerate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR linalyl hexanoate FL/FR methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR methyl heptanoate FL/FR methyl octadienoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR 2- pentyl furan FL/FR 3- phenyl propyl hexanoate FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple pentenoate FL/FR prenol FL/FR prenyl hexanoate FL/FR iso propyl 2-methyl butyrate FL/FR (E,E)- sorbyl butyrate FL/FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical thiazole FL/FR tropical trithiane FL/FR (E)-2- undecenal FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR actinidia chinensis fruit extract FL/FR cilantro leaf oil FL/FR cognac heptanone FL/FR black currant bud absolute replacer FL/FR alpha- decalactone FL/FR dodecanal dimethyl acetal FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR green note propionate FL/FR heptanal (aldehyde C-7) FL/FR heptanal cyclic propylene acetal FL/FR 3- heptanone FL/FR (Z)-4- heptenal FL/FR 2- heptenal FL/FR 2- heptyl furan FL/FR hexanal (aldehyde C-6) FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl acetate 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 (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 (Z)-3- hexenal FL/FR (E)-2- hexenal propylene glycol acetal FL/FR 2- hexenyl acetate FL/FR 3- hexenyl acetate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR methyl (E)-3-hexenoate FL/FR (E,Z)-3,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadienal FL/FR (Z)-2- nonen-1-ol FL/FR (E)-2- nonen-1-ol FL/FR (E)-2- octen-1-yl acetate FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR alpha-iso propyl phenyl acetaldehyde FL/FR propylene acetal FL/FR sorbyl isobutyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR thiogeraniol FL/FR herbal (1S,5R)- myrtenyl acetate FL/FR 3- octyl acetate FL/FR 2- pentyl acetate FL/FR tagete oil india FL/FR viridiflorol FL/FR minty carvyl acetate FL/FR spicy cinnamyl propionate FL/FR cumin seed absolute FL/FR sulfurous buchu mercaptan FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR tropical beta- cyclocitral FL/FR waxy 9- decenoic acid FL/FR heptyl octanoate FL/FR (E)- methyl geranate FL/FR 2,4- nonadien-1-ol FL/FR octyl 2-methyl butyrate FL/FR propyl decanoate FL/FR winey methyl 3-acetoxyoctanoate FL/FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR actinidia chinensis fruit juice FL allyl levulinate FL allyl tiglate FL iso butyl octanoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR 9- decen-2-one FL 2,5- diethyl-4-propyl thiazole FL epoxy-2-decenal FL ethyl 2-(methyl thio) acetate FL ethyl 2-hexenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR furfuryl hexanoate FL geranyl ethyl ether FL/FR guaiyl acetate FL/FR (E,E)-2,4- heptadien-1-ol FL heptanal cyclic propylene acetal FL/FR 2- heptenal FL/FR 2- heptyl butyrate FL/FR hexanal butane-2,3-diol acetal FL hexanal octane-1,3-diol acetal FL (E)-3- hexenal FL 2- hexenal FL 2- hexenal diethyl acetal FL (E)-2- hexenal propylene glycol acetal FL/FR 3- hexenyl acetate FL/FR 2- hexenyl acetate FL/FR hexyl nonanoate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR linalyl hexanoate FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 3-acetoxyoctanoate FL/FR methyl 3-hydroxybutyrate FL 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR methyl 4-pentenoate FL (E)- methyl geranate FL/FR methyl octadienoate FL/FR 6- methyl octanal FL 2- methyl-2-octenal FL (E)-2- methyl-2-octenal FL 2- methyl-3-heptanone FL 3- methyl-3-pentanol FL 6- methyl-5-hepten-2-one propylene glycol acetal FL/FR (E,E)-3,5- octadien-2-one FL 2- octenal FL/FR 3- octyl butyrate FL 4- phenyl-2-butyl acetate FL/FR prenyl hexanoate FL/FR propyl decanoate FL/FR alpha-iso propyl phenyl acetaldehyde FL/FR 2- propyl pyridine FL propylene acetal FL/FR (E,E)- sorbyl butyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR 2- tetradecenal FL/FR (E)- tiglaldehyde FL/FR viridiflorol FL/FR (±)-3-( methyl thio) heptanal FL sorbyl isobutyrate FL/FR aldehydic aldehydic octanal (aldehyde C-8) FL/FR alliaceous tropical thiazole FL/FR aromatic para- cresyl isobutyrate FL/FR berry heptyl isobutyrate FL/FR citrus cilantro leaf oil FL/FR cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR creamy 2,4- heptadienal FL dairy 2- pentyl acetate FL/FR earthy 1- hexen-3-yl acetate FL estery ethyl acetoacetate FL/FR fatty 2,4- decadienal FL ethyl (E)-4-decenoate FL/FR (E,E)-2,4- heptadienal FL 2- heptyl furan FL/FR 2,4- nonadien-1-ol FL/FR 2,4- nonadienal FL (Z)-2- nonen-1-ol FL/FR 2- nonenal FL/FR (E)-2- octenal FL/FR floral cinnamyl propionate FL/FR citronellyl propionate FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR (E)- geranyl acetone FL/FR geranyl isobutyrate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR fruity iso amyl benzoate FL/FR amyl hexanoate FL/FR iso amyl octanoate FL/FR berry pentadienoate FL/FR boronia absolute FL/FR butyl 2-methyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR black currant bud absolute replacer FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-2-octenoate FL ethyl (E)-3-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl hexanoate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR furfuryl propionate FL 2- heptanol FL/FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate 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 kiwi distillates FL methyl (E)-2-octenoate FL/FR methyl (E)-3-nonenoate FL methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR para- methyl benzyl acetate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR (Z)-3- nonen-1-yl acetate FL (Z)-5- octen-1-yl acetate FL octen-1-yl cyclopentanone FL/FR 3- phenyl propyl hexanoate FL/FR pineapple pentenoate FL/FR prenol FL/FR iso propyl 2-methyl butyrate FL/FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical trithiane FL/FR green acetaldehyde dihexyl acetal FL/FR actinidia chinensis fruit extract FL/FR allyl butyrate FL/FR iso amyl isovalerate FL/FR cyclohexyl formate FL/FR 3- decen-2-one FL/FR dihydroxyacetophenone (mixed isomers) FL (E,Z)-2,6- dodecadienal FL/FR dodecanal dimethyl acetal FL/FR geranyl formate FL/FR geranyl isovalerate FL/FR green note propionate FL/FR heptanal (aldehyde C-7) FL/FR (E)-2- heptenal FL (Z)-4- heptenal FL/FR (E,E)-2,4- hexadienal FL 2,4- hexadienal FL hexanal (aldehyde C-6) FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexenal FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR 2- hexyl pyridine FL methyl (E)-3-hexenoate FL/FR methyl 2-undecynoate FL (E,Z)-3,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadienal FL/FR (E)-2- nonen-1-ol FL/FR (E)-2- nonenal FL/FR (E,E)-2,4- octadienal FL 2,4- octadienal FL (E)-2- octen-1-yl acetate FL/FR 3- octyl acetate FL/FR papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR thiogeraniol FL/FR herbal tagete oil india FL/FR ketonic 3- heptanone FL/FR minty carvyl acetate FL/FR pungent acetaldehyde FL rummy (E)-2- hexen-1-yl formate FL/FR soapy dodecanal (aldehyde C-12 lauric) FL/FR sour 3- methyl valeric acid FL spicy cumin seed absolute FL/FR sulfurous buchu mercaptan FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR waxy iso amyl butyrate FL/FR 9- decenoic acid FL/FR heptyl octanoate FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR undecanal FL/FR (E)-2- undecenal FL/FR whiskey 3- methyl-1-pentanol FL/FR woody (Z)- jasmone FL/FR (1S,5R)- myrtenyl acetate FL/FR   Potential Uses:   fruity FL green   Occurrence (nature, food, other):note   curuba fruit Search Trop Picture   guanabana Search PMC Picture   Synonyms: (E)-2- hexenoic acid hexyl ester 2- hexenoic acid, hexyl ester, (2E)- 2- hexenoic acid, hexyl ester, (E)-   hexyl (2E)-hex-2-enoate   hexyl (E)-hex-2-enoate   hexyl trans-2-hexenoate   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring ingredient