(E)-2-hexen-1-yl formate
(E)-2-hexenyl formate

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  53398-78-0 (E)-2-Hexen-1-ol formate

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Name: [(E)-hex-2-enyl] formate CAS Number: 53398-78-0 3D/inchi ECHA EINECS - REACH Pre-Reg: 258-512-7 FDA UNII: 9FKH3Z2E3A Nikkaji Web: J118.130K CoE Number: 11858 XlogP3-AA: 2.00 (est) Molecular Weight: 128.17104000 Formula: C7 H12 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: The chemical name should be changed to Hex-(2E)-enyl formate, in accordance with the CAS number and the specifcations provided (Documentation provided to EFSA nr: 1) 95% (2E)-isomer 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: 1376 (E)-2-hexenyl formate DG SANTE Food Flavourings: 09.397 (E)-hex-2-enyl formate FEMA Number: 3927 (E)-2-hexenyl formate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 53398-78-0 ; (E)-2-HEXENYL FORMATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 94.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.91500 to 0.92500 @ 25.00 °C. Pounds per Gallon - (est).: 7.614 to 7.697 Refractive Index: 1.42000 to 1.42400 @ 20.00 °C. Boiling Point: 42.00 °C. @ 1.00 mm Hg Boiling Point: 75.00 °C. @ 40.00 mm Hg Vapor Pressure: 1.971000 mmHg @ 25.00 °C. (est) Flash Point: 110.00 °F. TCC ( 43.33 °C. ) logP (o/w): 2.128 (est) Soluble in:   alcohol   water, 1607 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl formate amyl formate isoamyl formate para-anisyl formate benzyl formate bornyl formate isobornyl formate butyl formate isobutyl formate sec-butyl formate carvyl formate cedryl formate cinnamyl formate citronellyl formate para-cresyl formate cyclododecyl formate cyclohexyl formate 2-decalinyl formate decyl formate dimethyl benzyl carbinyl formate ethyl formate eugenyl formate isoeugenyl formate furfuryl formate S-furfuryl thioformate geranyl formate heptyl formate (E)-3-hexen-1-yl formate 3-hexen-1-yl formate (Z)-3-hexen-1-yl formate hexyl formate linalyl formate menthadienyl formate menthyl formate laevo-menthyl formate 2-methyl butyl formate methyl formate myrtenyl formate neryl formate nonisyl formate nonyl formate nopyl formate octyl formate 3-octyl formate phenethyl formate 2-phenoxyethyl formate 3-phenyl propyl formate prenyl formate propyl formate isopropyl formate isopulegyl formate rhodinyl formate styralyl formate sulfuryl formate terpinyl formate   Organoleptic Properties: Odor Type: green fruity green rummy Odor Description:at 10.00 % in dipropylene glycol. fruity green rum Flavor Type: rummy rummy Taste Description: rum Odor and/or flavor descriptions from others (if found). Bedoukian Research trans-2-HEXENYL FORMATE ≥93.0%, Kosher Odor Description:Slightly fruity, diffusive, rum-like odor with a green finish Blends well with cinnamates and can be used as a sweet topnote for herbaceous fragrances. Taste Description:rum Finds use in honey, butterscotch, butter rum and ripe banana   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. (E)-2-Hexen-1-ol formate Parchem (E)-2-hexen-1-yl formate Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information: European information : Most important hazard(s): Xi - Irritant R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.   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 (E)-2-hexen-1-yl formate usage levels up to:   5.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 7.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1700 (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: 19 Click here to view publication 19   average usual ppm average maximum ppm baked goods: 7.00000 11.00000 beverages(nonalcoholic): 2.50000 4.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: 0.50000 1.00000 condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 4.00000 7.00000 fruit ices: - - gelatins / puddings: 5.00000 7.00000 granulated sugar: - - gravies: - - hard candy: 8.00000 9.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: 0.50000 1.00000 meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: 6.00000 9.00000 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): 5.70000 12.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 1.50000 14.25000 Edible ices, including sherbet and sorbet (03.0): - - Processed fruit (04.1): - - Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 5.00000 5.03000 Confectionery (05.0): 5.50000 14.46000 Chewing gum (05.3): 6.02000 20.87000 Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 4.80000 11.55000 Bakery wares (07.0): 5.00000 17.00000 Meat and meat products, including poultry and game (08.0): 0.90000 2.98000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): - - Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.00000 5.00000 Foodstuffs intended for particular nutritional uses (13.0): - - Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.00000 4.43000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.00000 2.00000 Ready-to-eat savouries (15.0): 2.50000 4.50000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): - -   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): EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):53398-78-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5352972 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1993 WGK Germany:2 [(E)-hex-2-enyl] formate Chemidplus:0053398780   References:   [(E)-hex-2-enyl] formate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5352972 Pubchem (sid): 135061333   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): HMDB38271 FooDB: FDB017569 Export Tariff Code: 2915.13.0000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor alcoholic 3- hexanol FL/FR balsamic iso amyl benzoate FL/FR iso amyl pyruvate FL/FR burnt rum ether FL/FR buttery 2,3- heptane dione FL/FR chemical iso butyl formate FL/FR citrus 2- heptanol FL/FR cocoa 2- methyl butyraldehyde FL/FR ethereal butyl acetate FL/FR cyclohexyl formate FL/FR decyl propionate FL/FR ethyl acetate FL/FR ethyl pyruvate FL/FR 1- hexen-3-ol FL/FR methyl acetate FL/FR (E)- methyl tiglate FL/FR 2- methyl valeraldehyde FL/FR iso propyl acetate FL/FR propyl formate FL/FR fatty methyl (E)-2-hexenoate FL/FR fermented ethyl crotonate FL/FR floral benzyl acetoacetate FL/FR boronia absolute FL/FR ethyl hydrocinnamate FL/FR geranyl acetate FL/FR fruity acetoin acetate FL/FR allyl amyl glycolate FR allyl butyrate FL/FR allyl isovalerate FL/FR allyl salicylate FR iso amyl acetate FL/FR iso amyl butyrate FL/FR amyl butyrate FL/FR iso amyl isovalerate FL/FR iso amyl nonanoate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR butyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cyclohexanone diethyl acetal FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate 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 2- ethyl butyl acetate FL/FR ethyl heptanoate FL/FR ethyl isobutyrate FL/FR ethyl propionate FL/FR fruity carboxylate FR furfuryl acetate FL/FR heptanal cyclic ethylene acetal FR 3- hexanone 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 (E)-tiglate FL/FR hexyl acetate FL/FR methyl 3-nonenoate FL/FR methyl 4-methyl valerate FL/FR methyl heptanoate FL/FR methyl propionate FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR 2- pentyl butyrate FL/FR 2- pentyl furan FL/FR 2- phenyl propyl butyrate FL/FR pineapple pentenoate FL/FR prenyl acetate FL/FR prenyl formate FL/FR prenyl hexanoate FL/FR iso propyl 2-methyl butyrate FL/FR iso propyl octanoate FL/FR rhubarb undecane FR styryl acetate FL/FR tetrahydrofurfuryl acetate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical thiazole FL/FR green alpha- decalactone FL/FR heptyl acetate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl phenyl acetate FL/FR 3- hexenyl acetate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR phenoxyethyl isobutyrate FL/FR propylene acetal FL/FR violet dienyne FR herbal 2- pentyl acetate FL/FR honey allyl phenyl acetate FL/FR rummy rum extract FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR tonka saffron resinoid FL/FR tropical beta- cyclocitral FL/FR waxy iso amyl decanoate FL/FR ethyl nonanoate FL/FR octyl 2-methyl butyrate FL/FR woody verdoxan FR For Flavor No flavor group found for these iso amyl pyruvate FL/FR butter nut rum flavor FL sec- butyl acetate FL cyclohexanone diethyl acetal FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR decyl propionate FL/FR diethyl maleate FL ethyl 2-hexenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl hydrocinnamate FL/FR (E)-2- hexen-1-yl phenyl acetate FL/FR 2- hexenal FL 2- hexenal diethyl acetal FL 3- hexenyl acetate FL/FR hexyl (E)-2-hexenoate FL methyl (E)-2-hexenoate FL/FR (E)- methyl tiglate 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 prenyl formate FL/FR prenyl hexanoate FL/FR propylene acetal FL/FR styryl acetate FL/FR benzyl acetoacetate FL/FR alcoholic alcoholic 3- hexanol FL/FR alliaceous tropical thiazole FL/FR brown tetrahydrofurfuryl acetate FL/FR burnt rum ether FL/FR buttery 2,3- heptane dione FL/FR caramellic butter rum toffee flavor FL cooling manzanate (Givaudan) FL/FR dairy 2- pentyl acetate FL/FR earthy 1- hexen-3-yl acetate FL estery ethyl acetoacetate FL/FR furfuryl acetate FL/FR ethereal butyl acetate FL/FR ethyl acetate FL/FR ethyl isobutyrate FL/FR methyl acetate FL/FR iso propyl acetate FL/FR fruity acetoin acetate FL/FR allyl isovalerate FL/FR iso amyl acetate FL/FR iso amyl benzoate FL/FR amyl butyrate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR boronia absolute FL/FR butyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-octenoate FL ethyl (E)-3-hexenoate FL/FR ethyl 2-octenoate FL/FR 2- ethyl butyl acetate FL/FR ethyl heptanoate FL/FR ethyl propionate FL/FR furfuryl propionate FL 2- heptanol FL/FR 3- hexanone 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 methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR methyl 4-methyl valerate FL/FR methyl heptanoate FL/FR methyl propionate FL/FR octen-1-yl cyclopentanone FL/FR 2- pentyl butyrate FL/FR pineapple pentenoate FL/FR prenyl acetate FL/FR iso propyl 2-methyl butyrate FL/FR propyl formate FL/FR iso propyl octanoate FL/FR tetrahydrofurfuryl butyrate FL/FR fusel 2- methyl butyraldehyde FL/FR green allyl butyrate FL/FR iso amyl isovalerate FL/FR cyclohexyl formate FL/FR geranyl acetate FL/FR heptyl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR 1- hexen-3-ol FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl octanoate FL/FR methyl 2-undecynoate FL 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR honey allyl phenyl acetate FL/FR oily tetrahydrofurfuryl propionate FL rummy iso butyl formate FL/FR ethyl crotonate FL/FR ethyl pyruvate FL/FR rum FL rum extract FL/FR jamaican rum flavor FL rum flavor FL spicy spiced butter rum flavor FL cinnamon nut butter rum flavor FL 2- phenyl propyl butyrate FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR sweet saffron resinoid FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR waxy iso amyl butyrate FL/FR iso amyl decanoate FL/FR ethyl nonanoate FL/FR octyl 2-methyl butyrate FL/FR winey iso amyl nonanoate FL/FR woody quercus alba chips extract FL   Potential Uses: FR banana FL butter rum FR butterscotch FR fruit FR herbal FR honey FR spice   Occurrence (nature, food, other):note   tea black tea Search Trop Picture   Synonyms: (2E)- hex-2-en-1-yl formate (E)- hex-2-enyl formate [(E)- hex-2-enyl] formate 2- hexen-1-ol, formate, (2E)- 2- hexen-1-yl formate trans-2- hexen-1-yl formate (E)-2- hexenyl formate (Z)-2- hexenyl formate trans-2- hexenyl formate   Articles:   None found yet. Try the PubMed Search.

Notes: Blends well with cinnamates. Flavouring ingredient