ethyl 3,5,5-trimethyl hexanoate
3,5,5-trimethyl hexanoic acid ethyl ester

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  Associate Allied Chemicals

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  Augustus Oils Ltd

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Name: ethyl 3,5,5-trimethylhexanoate CAS Number: 67707-75-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 266-959-4 FDA UNII: Search Nikkaji Web: J333.323J XlogP3-AA: 3.50 (est) Molecular Weight: 186.29474000 Formula: C11 H22 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category: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   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.86000 @ 25.00 °C. Refractive Index: 1.41800 to 1.42200 @ 20.00 °C. Boiling Point: 83.00 to 85.00 °C. @ 16.00 mm Hg Vapor Pressure: 0.470000 mmHg @ 25.00 °C. (est) Flash Point: 167.00 °F. TCC ( 75.00 °C. ) logP (o/w): 3.941 (est) Soluble in:   alcohol   water, 15.62 mg/L @ 25 °C (est) Insoluble in:   water Stability:   most media   Organoleptic Properties: Odor Type: fruity Odor Strength:medium Substantivity:8 hour(s) at 100.00 % fruity apple green apple winey yeasty floral Odor Description:at 100.00 %. fruity green apple wine yeast floral Luebke, William tgsc, (1987) Odor sample from: Henkel Corporation Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Associate Allied Chemicals Melusat About Augustus Oils Melusat Services Ernesto Ventós MELUSAT Odor: FRUITY, FLOWERY WITH APPLE NOTE Kao Corporation MELUSAT Odor: Fruity, flowery with apple-and wine yeast-note Penta International ETHYL-3,5,5-TRIMETHYLHEXANOATE Stort Chemicals Melusat The Lermond Company MELUSAT   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: oral-mouse LD50 5200 mg/kg Henkel Corporation Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: 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 ethyl 3,5,5-trimethyl hexanoate usage levels up to:   5.0000 % in the fragrance concentrate.   Recommendation for ethyl 3,5,5-trimethyl hexanoate flavor usage levels up to:   not for flavor use.   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 :3017783 National Institute of Allergy and Infectious Diseases:Data WGK Germany:1 ethyl 3,5,5-trimethylhexanoate Chemidplus:0067707759   References:   ethyl 3,5,5-trimethylhexanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 67707-75-9 Pubchem (cid): 3017783 Pubchem (sid): 135249658   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 balsamic iso amyl benzoate FL/FR opoponax oil (balsamodendron kafal) FL/FR opoponax resinoid (balsamodendron kafal) FR terpinyl cinnamate FL/FR caramellic diethyl malate FL/FR citrus 2- heptanol FL/FR earthy amyl octanoate FL/FR ethereal iso amyl acetoacetate FL/FR iso butyl alcohol FL/FR 2- methyl valeraldehyde FL/FR 2- methyl-1-butanol FL/FR fatty butyl undecylenate FL/FR 3- decen-2-one FL/FR methyl (E)-2-hexenoate FL/FR fermented amyl alcohol FL/FR hexanal diethyl acetal FL/FR methyl decanoate FL/FR 3- methyl-1-pentanol FL/FR propyl nonanoate FL/FR floral boronia absolute FL/FR (Z)-alpha- damascone FL/FR alpha- damascone FL/FR gamma- damascone FR dimethyl anthranilate FL/FR methyl citronellate FL/FR phenethyl butyrate FL/FR fruity acetaldehyde hexyl isoamyl acetal FL/FR allyl amyl glycolate FR allyl butyrate FL/FR iso amyl 2-methyl butyrate FL/FR amyl 2-methyl butyrate FL/FR iso amyl butyrate FL/FR amyl isobutyrate FL/FR iso amyl isovalerate FL/FR amyl isovalerate FL/FR iso amyl octanoate FL/FR apple ketal FL/FR benzyl isovalerate FL/FR iso butyl acetoacetate FL/FR butyl anthranilate FL/FR butyl hexanoate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cyclohexyl butyrate FL/FR 2- cyclopentyl cyclopentanone FL/FR (E)-alpha- damascone FL/FR diethyl laevo-tartrate FL/FR diethyl malonate FL/FR diethyl sebacate FL/FR dimethyl succinate FL/FR eriocephalus punctulatus flower oil FR ethyl 2-cyclohexyl propionate FR ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl acetoacetate FL/FR ethyl heptanoate FL/FR ethyl isovalerate FL/FR ethyl valerate FL/FR farnesyl acetone FL/FR fruity ketal FL/FR geranyl 2-methyl butyrate FL/FR geranyl acetoacetate FL/FR green acetate 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 hexyl isovalerate FL/FR methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR 2- methyl butyl butyrate FL/FR methyl heptanoate FL/FR methyl isovalerate FL/FR methyl nonanoate FL/FR nerolidyl isobutyrate FR nonyl isovalerate FL/FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR 2- pentanone FL/FR 2- pentyl furan 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 propyl 2-methyl butyrate FL/FR propyl heptanoate FL/FR iso propyl isovalerate FL/FR propyl isovalerate FL/FR rhubarb undecane FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR (E,E)-5,6,7,7- tetramethyl-2,5-octadien-4-one FR tropical indene FR tropical thiazole FL/FR green iso amyl 3-(2-furan) propionate FL/FR iso amyl formate FL/FR benzaldehyde dimethyl acetal FL/FR butyl heptanoate FL/FR alpha- decalactone FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR ethyl (E)-2-decenoate FL/FR green note propionate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl butyrate 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 (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexenal FL/FR (E)-2- hexenal propylene glycol acetal FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR hexyl phenyl acetate FL/FR manzanate (Givaudan) FL/FR methyl (E)-3-hexenoate FL/FR 3- octyl formate FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR propyl tiglate FL/FR violet dienyne FR herbal iso amyl tiglate FL/FR ethyl chrysanthemate FR phenethyl senecioate FL/FR honey methyl hydrocinnamate FL/FR spicy cinnamyl isovalerate FL/FR tropical beta- cyclocitral FL/FR waxy allyl nonanoate FL/FR iso amyl laurate FL/FR ethyl decanoate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR octyl 2-methyl butyrate FL/FR winey butyl angelate FL/FR 2- hexanol FL/FR woody lariciu pine needle oil FR verdoxan FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these acetaldehyde hexyl isoamyl acetal FL/FR amyl 2-methyl butyrate FL/FR amyl isobutyrate FL/FR amyl isovalerate FL/FR amyl octanoate FL/FR iso amyl tiglate FL/FR butyl angelate FL/FR cyclohexyl butyrate FL/FR 2- cyclopentyl cyclopentanone FL/FR (Z)-alpha- damascone FL/FR alpha- decalactone FL/FR diethyl laevo-tartrate FL/FR diethyl malate FL/FR ethyl 3-acetoxyhexanoate FL/FR farnesyl acetone FL/FR geranyl 2-methyl butyrate FL/FR geranyl acetoacetate FL/FR hexanal diethyl acetal FL/FR 2- hexanol FL/FR (E)-2- hexenal propylene glycol acetal FL/FR methyl (E)-2-hexenoate FL/FR methyl hydrocinnamate FL/FR nonyl isovalerate FL/FR phenethyl senecioate FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR propyl 2-methyl butyrate FL/FR iso propyl isovalerate FL/FR propyl isovalerate FL/FR propyl nonanoate FL/FR propyl tiglate FL/FR iso amyl 3-(2-furan) propionate FL/FR alliaceous alliaceous tropical thiazole FL/FR balsamic opoponax oil (balsamodendron kafal) FL/FR cooling manzanate (Givaudan) FL/FR estery ethyl acetoacetate FL/FR ethereal iso butyl alcohol FL/FR 2- methyl-1-butanol FL/FR fatty iso amyl laurate FL/FR methyl decanoate FL/FR floral methyl citronellate FL/FR fruity iso amyl 2-methyl butyrate FL/FR iso amyl acetoacetate FL/FR iso amyl benzoate FL/FR iso amyl octanoate FL/FR apple ketal FL/FR benzyl isovalerate FL/FR boronia absolute FL/FR iso butyl acetoacetate FL/FR butyl anthranilate FL/FR butyl heptanoate FL/FR butyl hexanoate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl isovalerate FL/FR alpha- damascone FL/FR (E)-alpha- damascone FL/FR diethyl malonate FL/FR diethyl sebacate FL/FR dimethyl anthranilate FL/FR dimethyl succinate FL/FR ethyl (E)-2-decenoate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 2-octenoate FL/FR ethyl heptanoate FL/FR ethyl isovalerate FL/FR ethyl valerate FL/FR fruity ketal FL/FR 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 phenyl acetate FL/FR methyl 2-methyl butyrate FL/FR methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR 2- methyl butyl butyrate FL/FR methyl heptanoate FL/FR methyl isovalerate FL/FR octen-1-yl cyclopentanone FL/FR 2- pentanone FL/FR phenethyl butyrate FL/FR pineapple pentenoate FL/FR prenol FL/FR iso propyl 2-methyl butyrate FL/FR sorbyl butyrate FL/FR terpinyl cinnamate FL/FR tetrahydrofurfuryl butyrate FL/FR fusel amyl alcohol FL/FR green allyl butyrate FL/FR iso amyl formate FL/FR iso amyl isovalerate FL/FR benzaldehyde dimethyl acetal FL/FR 3- decen-2-one FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR green note propionate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl hexanoate 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 (Z)-3- hexenal FL/FR hexyl (E)-tiglate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR methyl (E)-3-hexenoate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR rummy (E)-2- hexen-1-yl formate FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR 2- octen-4-one FL/FR waxy allyl nonanoate FL/FR iso amyl butyrate FL/FR butyl undecylenate FL/FR ethyl decanoate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR 3- octyl formate FL/FR propyl heptanoate FL/FR whiskey 3- methyl-1-pentanol FL/FR winey methyl nonanoate FL/FR   Potential Uses: FR apple FR floral FR fruit FR green FL yeast   Occurrence (nature, food, other):note   not found in nature   Synonyms:   ethyl 3,5,5-trimethylhexanoate   ethyl-3,5,5-trimethylhexanoate   hexanoic acid, 3,5,5-trimethyl-, ethyl ester   melusat 3,3,5- trimethyl ethyl caproate 3,3,5- trimethyl ethyl hexanoate 3,5,5- trimethyl hexanoic acid ethyl ester   Articles:   None found yet. 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Notes: None found