prenyl ethyl ether
1-ethoxy-3-methyl-2-butene

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  Product(s):
  22094-00-4 1-Ethoxy-3-methyl-2-butene

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  1-Ethoxy-3-methyl-2-butene

Name: 1-ethoxy-3-methylbut-2-ene CAS Number: 22094-00-4 3D/inchi FDA UNII: 775CF2Y50F Nikkaji Web: J354.559H XlogP3-AA: 1.90 (est) Molecular Weight: 114.18778000 Formula: C7 H14 O 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: 1232 1-ethoxy-3-methyl-2-butene DG SANTE Food Flavourings: 03.019 prenyl ethyl ether FEMA Number: 3777 1-ethoxy-3-methyl-2-butene FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 22094-00-4 ; 1-ETHOXY-3-METHYL-2-BUTENE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 99.40 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.79700 to 0.80200 @ 25.00 °C. Pounds per Gallon - (est).: 6.632 to 6.673 Refractive Index: 1.41600 to 1.42200 @ 20.00 °C. Boiling Point: 120.00 to 121.00 °C. @ 760.00 mm Hg Vapor Pressure: 17.457001 mmHg @ 25.00 °C. (est) Flash Point: 32.00 °F. TCC ( 0.00 °C. ) logP (o/w): 2.393 (est) Soluble in:   alcohol   water, 1009 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity fruity green grassy Odor Description:at 100.00 %. fruity green grassy Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 1-Ethoxy-3-methyl-2-butene Parchem prenyl ethyl ether Penta International 1-ETHOXY-3-METHYL-2-BUTENE WholeChem 1-Ethoxy-3-methyl-2-butene   Safety Information: European information : Most important hazard(s): Xi - Irritant R 11 - Highly flammable. R 36/38 - Irritating to skin and eyes. 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 33 - Take precautionary measures against static discharge. S 37/39 - Wear suitable gloves and eye/face protection.   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 [sex: M] see below mg/kg 24 hours:1000 – 8000 ; 14 days:1000 – 4000 (Bähler and Bonetti, 1983) 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 prenyl ethyl ether usage levels up to:   0.6000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 21.00 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/day) Structure Class: II 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: 16 Click here to view publication 16   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): 0.10000 0.50000 beverages(alcoholic): 0.50000 3.00000 breakfast cereal: - - cheese: - - chewing gum: 0.50000 15.00000 condiments / relishes: - - confectionery froastings: 0.70000 2.50000 egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.30000 1.50000 fruit ices: 0.60000 2.20000 gelatins / puddings: 0.80000 3.00000 granulated sugar: 1.00000 5.00000 gravies: - - hard candy: 2.00000 5.00000 imitation dairy: - - instant coffee / tea: 0.10000 0.50000 jams / jellies: 0.80000 3.00000 meat products: - - milk products: 0.30000 1.50000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 1.00000 5.00000 snack foods: - - soft candy: 1.00000 5.00000 soups: - - sugar substitutes: 1.00000 5.00000 sweet sauces: - -   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): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000 View page or View pdf Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf Flavouring Group Evaluation 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) 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 :5463936 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 1-ethoxy-3-methylbut-2-ene Chemidplus:0022094004   References:   1-ethoxy-3-methylbut-2-ene NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5463936 Pubchem (sid): 135263446   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): HMDB38052 FooDB: FDB017263 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (Z)-8- tetradecenal FL/FR alliaceous alliaceous dibutyl sulfide FL/FR balsamic iso amyl benzoate FL/FR citrus 2- dodecanone FL/FR 2- heptanol FL/FR lemongrass oil FL/FR litsea cubeba fruit oil FL/FR ethereal 2- methyl valeraldehyde FL/FR fatty methyl (E)-2-hexenoate FL/FR floral boronia absolute FL/FR citronellyl acetate FL/FR mimosa absolute FL/FR mimosa absolute france FL/FR mimosa absolute india FL/FR mimosa absolute morocco FL/FR fruity allyl amyl glycolate FR allyl butyrate FL/FR iso amyl 2-methyl butyrate FL/FR iso amyl butyrate FL/FR iso amyl isovalerate FL/FR iso amyl octanoate FL/FR butyl 2-methyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR 2- cyclopentyl cyclopentanone FL/FR diethyl malonate FL/FR dimethyl succinate 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 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 3-nonenoate FL/FR methyl acetoacetate FL/FR methyl heptanoate FL/FR 2- methyl-2-pentenal FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR 2- pentyl furan FL/FR pineapple pentenoate FL/FR prenyl hexanoate FL/FR iso propyl 2-methyl butyrate FL/FR iso propyl isobutyrate FL/FR rhubarb undecane FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical thiazole FL/FR (E)-2- undecenal FL/FR green actinidia chinensis fruit extract FL/FR actinidia chinensis fruit water FR actinidia chinensis seed extract CS alfalfa absolute FR alfalfa oil FL/FR alfalfa resinoid FL/FR bark carbaldehyde FR butyl heptanoate FL/FR sec- butyl-3-methyl but-2-ene thioate FL/FR alpha- decalactone FL/FR 3,7- dimethyl-6-octenoic acid FL/FR green carboxylate FR green specialty FR (Z)-3- hepten-1-ol FL/FR 3- hepten-2-one FL/FR heptyl heptanoate FL/FR hexanal (aldehyde C-6) FL/FR hexanal dihexyl acetal FL/FR (Z)-3- hexen-1-ol FL/FR (E)-2- hexen-1-yl formate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexenal FL/FR hexyl butyrate FL/FR hexyl hexanoate FL/FR hexyl octanoate FL/FR lilac acetaldehyde FL/FR manzanate (Givaudan) FL/FR phenoxyethyl isobutyrate FL/FR propylene acetal FL/FR 3,5,5- trimethyl hexanol FL/FR violet dienyne FR herbal iso amyl heptanoate FL/FR clary sage resin america FR (1S,5R)- myrtenyl acetate FL/FR oregano specialty FR tagete oil india FL/FR minty (-)-iso pulegol FL/FR iso pulegol FL/FR spicy 3-(2- furyl) acrolein 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 2- acetyl-4-isopropenyl pyridine FL 2- acetyl-4-isopropyl pyridine FL actinidia chinensis fruit juice FL ascorbic acid FL sec- butyl-3-methyl but-2-ene thioate FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR 3- decanone FL/FR ethyl 3-acetoxyhexanoate FL/FR 2- ethyl pyridine FL 3-(2- furyl) acrolein FL/FR (Z)-3- hepten-1-ol FL/FR 2- heptenoic acid FL hexanal dihexyl acetal FL/FR 2- hexenal FL 2- hexenal diethyl acetal FL (Z)-3- hexenoic acid FL hexyl (E)-2-hexenoate FL methyl (E)-2-hexenoate FL/FR methyl acetoacetate FL/FR 3-( methyl thio) hexanal FL (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 hexanoate FL/FR iso propyl isobutyrate FL/FR propylene acetal FL/FR (Z)-8- tetradecenal FL/FR alliaceous alliaceous tropical thiazole FL/FR citrus lemongrass oil FL/FR litsea cubeba fruit oil FL/FR cooling manzanate (Givaudan) FL/FR creamy 3- hepten-2-one FL/FR estery ethyl acetoacetate FL/FR fatty 2- dodecanone FL/FR floral citronellyl acetate FL/FR 3,7- dimethyl-6-octenoic acid FL/FR mimosa absolute morocco FL/FR fruity iso amyl 2-methyl butyrate FL/FR iso amyl benzoate FL/FR iso amyl octanoate FL/FR boronia absolute FL/FR butyl 2-methyl butyrate FL/FR butyl heptanoate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-octenoate FL ethyl 2-octenoate 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 hexanoate FL/FR lilac acetaldehyde FL/FR methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR methyl heptanoate FL/FR 2- methyl-2-pentenal FL/FR octen-1-yl cyclopentanone FL/FR pineapple pentenoate FL/FR iso propyl 2-methyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR green actinidia chinensis fruit extract FL/FR alfalfa oil FL/FR alfalfa resinoid FL/FR allyl butyrate FL/FR iso amyl isovalerate FL/FR dibutyl sulfide FL/FR heptyl heptanoate FL/FR hexanal (aldehyde C-6) FL/FR (Z)-3- hexen-1-ol FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexenal FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl butyrate FL/FR hexyl octanoate FL/FR methyl 2-undecynoate FL 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR 3,5,5- trimethyl hexanol FL/FR herbal iso amyl heptanoate FL/FR tagete oil india FL/FR minty (-)-iso pulegol FL/FR iso pulegol FL/FR rummy (E)-2- hexen-1-yl formate FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR waxy iso amyl butyrate FL/FR mimosa absolute FL/FR mimosa absolute france FL/FR mimosa absolute india FL/FR octyl 2-methyl butyrate FL/FR (E)-2- undecenal FL/FR woody (1S,5R)- myrtenyl acetate FL/FR   Potential Uses: FR citrus FR fruit   grass FR green FR lemon   Occurrence (nature, food, other):note   citrus oils Search PMC Picture   Synonyms: 2- butene, 1-ethoxy-3-methyl-   ether, ethyl 3-methyl-2-butenyl 1- ethoxy-3-methyl-2-butene 1- ethoxy-3-methylbut-2-ene   ethyl 3-methyl-2-butenyl ether   ethyl 3-methylbut-2-en-1-yl ether   Articles: PubMed:Prenyl Ethers: Novel Fungal Volatiles Formed by Penicillium digitatum. PubMed:Identification of prenyl ethyl ether as a source of metallic, solvent-like off-flavor in hazelnut.

Notes: Flavouring ingredient