methyl 3-acetoxyoctanoate
methyl 3-acetyloxyoctanoate

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  35234-21-0 Methyl 3-(acetoxy)octanoate

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Name: methyl 3-acetyloxyoctanoate CAS Number: 35234-21-0 3D/inchi ECHA EINECS - REACH Pre-Reg: 252-452-5 FDA UNII: 16KH805BNJ Nikkaji Web: J289.943D XlogP3-AA: 2.30 (est) Molecular Weight: 216.27720000 Formula: C11 H20 O4 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: 1956 methyl 3-acetoxyoctanoate FEMA Number: 4454 methyl 3-acetoxyoctanoate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 35234-21-0 ; METHYL 3-ACETOXYOCTANOATE   Physical Properties: Appearance: colorless to yellow clear liquid (est) Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.93400 to 0.99400 @ 20.00 °C. Pounds per Gallon - (est).: 7.781 to 8.281 Refractive Index: 1.41300 to 1.43300 @ 20.00 °C. Boiling Point: 217.00 to 219.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.111000 mmHg @ 25.00 °C. (est) Flash Point: 198.00 °F. TCC ( 92.22 °C. ) logP (o/w): 2.585 (est) Soluble in:   alcohol   water   water, 150.2 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: winey winey fruity green Odor Description:at 100.00 %. winey fruity green Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Methyl 3-(acetoxy)octanoate Parchem methyl 3-acetoxyoctanoate 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 methyl 3-acetoxyoctanoate 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: 24 Click here to view publication 24   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): 1.00000 5.00000 beverages(alcoholic): 0.50000 2.50000 breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: 1.00000 5.00000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 5.00000 25.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: 2.00000 10.00000 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 :529300 National Institute of Allergy and Infectious Diseases:Data methyl 3-acetyloxyoctanoate Chemidplus:0035234210   References:   methyl 3-acetyloxyoctanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 529300 Pubchem (sid): 135211978   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 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: Methyl 3-acetoxyoctanoate   Potential Blenders and core components note For Odor animal methyl (E)-2-octenoate FL/FR balsamic iso amyl benzoate FL/FR cinnamyl butyrate FL/FR fir carboxylate FR hexyl cinnamate FR caramellic diethyl malate FL/FR citrus (R)- citronellyl nitrile FR citrus specialty FR 2- heptanol FL/FR ethereal cyclohexyl formate FL/FR methyl acetate FL/FR fatty 3- decen-2-one FL/FR hexyl pivalate FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR fermented methyl decanoate FL/FR floral alpha- amyl cinnamaldehyde diethyl acetal FR boronia absolute FL/FR cassis cyclohexene 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 jasmin cyclopentanol FR (Z)- jasmone FL/FR (2- methoxy-1-methyl propyl) benzene FR para- methyl benzyl acetate FL/FR papaya isobutyrate FL/FR tilia cordata flower oil CO2 extract FR fruity allyl amyl glycolate FR allyl butyrate FL/FR 3- allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane FR iso amyl butyrate FL/FR butyl anthranilate FL/FR 3- butyl bicyclo[3.2.1]-6-octen-2-one FR iso butyl octanoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR 1,4- dibutyl-6,8-dioxabicyclo(3.2.1)octane FR diethyl malonate FL/FR dimethyl succinate FL/FR dodecyl propionate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl 2-cyclohexyl propionate FR ethyl 2-ethyl acetoacetate FL/FR ethyl 2-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl acetoacetate FL/FR endo- ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR farnesyl acetone FL/FR fig crotonate FR fruity butanate FR geranyl acetoacetate FL/FR geranyl ethyl ether FL/FR geranyl isovalerate FL/FR 2- heptyl butyrate FL/FR heptyl isobutyrate FL/FR heptyl valerate FR 2- hexen-1-ol FL/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 methyl heptanoate FL/FR methyl octadienoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR nerolidyl isobutyrate FR (Z)-6- nonenal dimethyl acetal 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 prenyl hexanoate FL/FR propyl 2-methyl butyrate FL/FR rhubarb undecane FR sorbyl butyrate FL/FR (E,E)- sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical specialty FR tropical thiazole FL/FR tropical trithiane FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR actinidia chinensis fruit extract FL/FR actinidia chinensis fruit water FR actinidia chinensis seed extract CS allyl phenethyl ether FR black currant bud absolute replacer FL/FR alpha- decalactone FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR galbanum specialty FR green dioxolane FR green note propionate FL/FR herbal cyclohexane 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 (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 (E)-2- hexenal propylene glycol acetal FL/FR 3- hexenyl acetate FL/FR (Z)-3- hexenyl methyl ether FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR methyl (E)-3-hexenoate FL/FR neogall FR (E)-2- pentenal FL/FR propylene acetal FL/FR sorbyl isobutyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR thiogeraniol FL/FR violet dienyne FR herbal iso amyl tiglate FL/FR ethyl chrysanthemate FR 6- methoxy-2,6-dimethyl octanal FR (1S,5R)- myrtenyl acetate FL/FR 2- pentyl acetate FL/FR tagete oil india FL/FR tricyclodecyl acetate FR viridiflorol FL/FR honey methyl hydrocinnamate FL/FR minty carvyl acetate FL/FR spicy cinnamyl propionate FL/FR 2,5- dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate FR sulfurous 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR waxy allyl nonanoate FL/FR (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR winey butyl angelate FL/FR 2- hexanol FL/FR woody kaempferia galanga rhizome oil FL/FR verdoxan 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 amyl tiglate FL/FR butyl angelate FL/FR 2- butyl furan FL iso butyl octanoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR diethyl malate FL/FR 2,5- diethyl-4-propyl thiazole FL dodecyl propionate FL/FR ethyl 2-(methyl thio) acetate FL ethyl 2-hexenoate FL/FR ethyl 3-hydroxyoctanoate FL ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR farnesyl acetone FL/FR geranyl acetoacetate FL/FR geranyl ethyl ether FL/FR 2- heptyl butyrate FL/FR 2- hexanol FL/FR (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 hexyl (E)-2-hexenoate FL hexyl nonanoate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 3-hydroxybutyrate FL 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR (E)- methyl geranate FL/FR methyl hydrocinnamate FL/FR methyl octadienoate FL/FR 2- methyl-3-heptanone FL (E,E)-3,5- octadien-2-one FL 3- octyl butyrate FL oenanthic ether FL 4- phenyl-2-butyl acetate FL/FR prenyl hexanoate FL/FR propyl 2-methyl butyrate FL/FR propylene acetal FL/FR (E,E)- sorbyl butyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR viridiflorol FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR berry heptyl isobutyrate FL/FR camphoreous kaempferia galanga rhizome oil 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 ethereal methyl acetate FL/FR fatty ethyl (E)-4-decenoate FL/FR methyl decanoate FL/FR floral cinnamyl 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 boronia absolute FL/FR butyl anthranilate 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)-3-hexenoate FL/FR ethyl 2-ethyl acetoacetate FL/FR ethyl 2-octenoate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR 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 hexyl lactate FL/FR kiwi distillates FL methyl (E)-2-octenoate 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 sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical trithiane FL/FR green actinidia chinensis fruit extract FL/FR allyl butyrate FL/FR cyclohexyl formate FL/FR 3- decen-2-one FL/FR geranyl formate FL/FR geranyl isovalerate FL/FR green note propionate FL/FR (E,E)-2,4- hexadienal FL (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate 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 hexyl (E)-tiglate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR methyl (E)-3-hexenoate FL/FR methyl 2-undecynoate FL papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR thiogeraniol FL/FR herbal tagete oil india FL/FR minty carvyl acetate FL/FR pungent acetaldehyde FL sour 3- methyl valeric acid FL waxy allyl nonanoate FL/FR iso amyl butyrate FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR winey cinnamyl butyrate FL/FR woody (Z)- jasmone FL/FR (1S,5R)- myrtenyl acetate FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   pineapple fruit Search Trop Picture   Synonyms: 3-( acetyl oxy) octanoic acid methyl ester 3-( acetyloxy)octanoic acid methyl ester   methyl 3-(acetoxy) octanoate   methyl 3-(acetoxy)octanoate   methyl 3-acetyloxyoctanoate   octanoic acid, 3-(acetyloxy)-, methyl ester   Articles:   None found yet. 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Notes: None found