methyl R-3-acetoxyhexanoate
(R)-3-(acetyloxy)hexanoic acid methyl ester

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Name: methyl 3-acetyloxyhexanoate CAS Number: 77118-93-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 278-626-0 FDA UNII: ZV2XBH5CBD Nikkaji Web: J226.160J XlogP3-AA: 1.30 (est) Molecular Weight: 188.22332000 Formula: C9 H16 O4 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:information only not used for fragrances or flavors   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 Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.01300 to 1.01900 @ 25.00 °C. Pounds per Gallon - (est).: 8.429 to 8.479 Refractive Index: 1.42000 to 1.42600 @ 20.00 °C. Boiling Point: 55.00 °C. @ 0.70 mm Hg Vapor Pressure: 0.988000 mmHg @ 25.00 °C. (est) Flash Point: 200.00 °F. TCC ( 93.33 °C. ) logP (o/w): 1.566 (est) Soluble in:   alcohol   water, 1443 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: green fruity green lettuce Odor Description:at 100.00 %. fruity green lettuce Flavor Type: green sweet green Taste Description: sweet green Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers:   None found   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: information only not used for fragrances or flavors Recommendation for methyl R-3-acetoxyhexanoate usage levels up to:   not for fragrance use.   Recommendation for methyl R-3-acetoxyhexanoate flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):77118-93-5 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :89463 National Institute of Allergy and Infectious Diseases:Data methyl 3-acetyloxyhexanoate Chemidplus:0077118935   References:   methyl 3-acetyloxyhexanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 77118-93-5 Pubchem (cid): 89463 Pubchem (sid): 135045441   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 HMDB (The Human Metabolome Database): Search 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 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 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 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR nerolidyl isobutyrate FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR 2- pentyl furan FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple pentenoate FL/FR prenol FL/FR prenyl ethyl ether 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 iso amyl formate FL/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 (E)-2- hexen-1-yl acetate FL/FR (Z)-3- 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 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 (E)-2- methyl-2-octenal FL 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 ethyl ether 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 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 methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate 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 formate FL/FR iso amyl isovalerate FL/FR 3- decen-2-one FL/FR geranyl isovalerate 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 (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 octyl butyrate FL/FR whiskey 3- methyl-1-pentanol FL/FR   Potential Uses: FR fruit FR green FL lettuce   Occurrence (nature, food, other):note   not found in nature   Synonyms: (R)-3-( acetyl oxy) hexanoic acid methyl ester (R)-3-( acetyloxy)hexanoic acid methyl ester   methyl R-3-acetyloxyhexanoate   methyl-3-acetoxyhexanoate   Articles:   None found yet. 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Notes: None found

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