hexanal hexyl isoamyl acetal
1-(hexyloxy)-1-(3-methylbutoxy)hexane

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CAS Number: 896447-13-5 3D/inchi % from: 50.00% to 52.00% FDA UNII: 7ZP0QL6F0R Nikkaji Web: J2.651.359F XlogP3-AA: 6.50 (est) Molecular Weight: 272.47232000 Formula: C17 H36 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Also(can) Contains: hexanal dihexyl acetal 25.00% to 27.00%   hexanal diisoamyl acetal 20.00% to 22.00% 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: 1735 hexanal hexyl isoamyl acetal FEMA Number: 4369 hexanal hexyl isoamyl acetal FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 896447-13-5 ; HEXANAL HEXYL ISOAMYL ACETAL   Physical Properties: Appearance: colorless clear liquid (est) Assay: 97.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.83500 to 0.84000 @ 25.00 °C. Pounds per Gallon - (est).: 6.948 to 6.990 Refractive Index: 1.42700 to 1.43200 @ 20.00 °C. Boiling Point: 250.00 to 252.00 °C. @ 760.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.025000 mmHg @ 25.00 °C. (est) Flash Point: 121.00 °F. TCC ( 49.40 °C. ) (est) logP (o/w): 6.470 (est) Soluble in:   alcohol   water, 0.04657 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:at 100.00 %. sweet green Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Aston Chemical For experimental / research use only. Hexanal Hexyl Isoamyl Acetal Parchem hexanal hexyl isoamyl acetal 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 Recommendation for hexanal hexyl isoamyl acetal usage levels up to:   2.0000 % 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: 23 Click here to view publication 23   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): 0.20000 2.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.50000 3.00000 fruit ices: - - gelatins / puddings: 0.50000 3.00000 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: - - 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 :57355543 National Institute of Allergy and Infectious Diseases:Data 1-(hexyloxy)-1-(3-methylbutoxy)hexane Chemidplus:0896447135   References:   1-(hexyloxy)-1-(3-methylbutoxy)hexane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 57355543 Pubchem (sid): 163642846   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): HMDB32317 FooDB: FDB009565 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E)- tiglaldehyde FL/FR animal animal para- cresyl isobutyrate FL/FR balsamic iso amyl benzoate FL/FR fir carboxylate FR citrus 2- heptanol FL/FR ethereal 2- methyl valeraldehyde FL/FR fatty 3- decen-2-one FL/FR hexyl pivalate FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR fermented 3- methyl-1-pentanol FL/FR floral alpha- amyl cinnamaldehyde diethyl acetal FR boronia absolute FL/FR citronellyl propionate FL/FR gamma- damascone FR 6,8- dimethyl-2-nonanol FR (E)- geranyl acetone FL/FR lily propanol FR papaya isobutyrate FL/FR fruity acetaldehyde dihexyl acetal FL/FR allyl amyl glycolate 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 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 ethyl methyl-para-tolyl glycidate FL/FR geranyl isovalerate FL/FR heptanal cyclic ethylene acetal FR heptyl isobutyrate 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 isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl isovalerate FL/FR hexyl propionate FL/FR linalyl hexanoate FL/FR methyl 3-nonenoate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR 2- pentyl furan 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 rhubarb undecane FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical thiazole FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR acetaldehyde methyl hexyl acetal FR cognac heptanone FL/FR alpha- decalactone FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR green dioxolane FR (Z)-3- hexen-1-yl (E)-2-hexenoate 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 (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 (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR 2- hexenyl acetate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) 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 thiogeraniol FL/FR violet dienyne FR herbal tricyclodecyl acetate FR sulfurous buchu mercaptan FL/FR tropical beta- cyclocitral FL/FR waxy 9- decenoic acid FL/FR (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR woody verdoxan FR woody acetate FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR allyl tiglate FL 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR ethyl 3-acetoxyhexanoate FL/FR (E,E)-2,4- heptadien-1-ol FL 2- hexenal FL 2- hexenal diethyl acetal FL 2- hexenyl acetate FL/FR hexyl (E)-2-hexenoate FL hexyl propionate FL/FR linalyl hexanoate FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 4-pentenoate FL (E)- methyl geranate FL/FR 2- methyl-2-octenal FL (E)-2- methyl-2-octenal FL 3- methyl-3-pentanol FL (E,E)-3,5- octadien-2-one FL 4- phenyl-2-butyl acetate FL/FR prenyl hexanoate FL/FR alpha-iso propyl phenyl acetaldehyde FL/FR propylene acetal FL/FR (E)- tiglaldehyde FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR aromatic para- cresyl isobutyrate FL/FR berry heptyl isobutyrate FL/FR citrus cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR earthy 1- hexen-3-yl acetate FL estery ethyl acetoacetate FL/FR fatty ethyl (E)-4-decenoate FL/FR floral citronellyl propionate FL/FR (E)- geranyl acetone 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 diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-2-octenoate FL 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 (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 methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR octen-1-yl cyclopentanone FL/FR pineapple pentenoate FL/FR prenol FL/FR iso propyl 2-methyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR green acetaldehyde dihexyl acetal FL/FR allyl butyrate FL/FR iso amyl isovalerate FL/FR 3- decen-2-one FL/FR geranyl isovalerate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate 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 (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 methyl 2-undecynoate FL papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR thiogeraniol FL/FR rummy (E)-2- hexen-1-yl formate FL/FR sour 3- methyl valeric acid FL 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 octyl 2-methyl butyrate FL/FR whiskey 3- methyl-1-pentanol FL/FR   Potential Uses: FL green   Occurrence (nature, food, other):note   not found in nature   Synonyms:   aldehyde C-6 hexyl isoamyl acetal (+/-)-1- hexoxy-1-isopentyloxy-hexane 1- hexoxy-1-isopentyloxy-hexane, (+/-)- 1- hexyl oxy-1-(3-methyl butyl) oxyhexane 1- hexyloxy-1-(3-methylbutoxy)hexane 1- hexyloxy-1-(3-methylbutyl)oxyhexane 1-( hexyloxy)-1-(3-methylbutoxy)hexane 1-( hexyloxy)-1-(3-methylbutyloxy)hexane   Articles:   None found yet. 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Notes: Used as a food additive [EAFUS]