2-pentyl-1-buten-3-one
3-methylene-2-octanone

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  63759-55-7 3-Methyleneoctan-2-one

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Name: 3-methylideneoctan-2-one CAS Number: 63759-55-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 264-448-0 FDA UNII: U0DN158008 Nikkaji Web: J286.550E XlogP3-AA: 3.00 (est) Molecular Weight: 140.22572000 Formula: C9 H16 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring 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: 1149 2-pentyl-1-buten-3-one FEMA Number: 3725 2-pentyl-1-buten-3-one FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 63759-55-7 ; 2-PENTYL-1-BUTEN-3-ONE   Physical Properties: Appearance: pale yellow clear liquid (est) Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.80800 to 0.81400 @ 25.00 °C. Pounds per Gallon - (est).: 6.723 to 6.773 Refractive Index: 1.43700 to 1.44200 @ 20.00 °C. Boiling Point: 81.00 °C. @ 31.00 mm Hg Boiling Point: 197.00 to 198.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.361000 mmHg @ 25.00 °C. (est) Flash Point: 160.00 °F. TCC ( 71.11 °C. ) logP (o/w): 2.599 (est) Soluble in:   alcohol   water, 268.1 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fungal musty mushroom fungal Odor Description:at 10.00 % in dipropylene glycol. musty mushroom Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. 2-Octanone,3-methylene- BOC Sciences For experimental / research use only. 3-Methyleneoctan-2-one Parchem 2-pentyl-1-buten-3-one 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: flavoring agents Recommendation for 2-pentyl-1-buten-3-one usage levels up to:   not for fragrance use.   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: 13 Click here to view publication 13   average usual ppm average maximum ppm baked goods: - 0.01000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: - - cheese: - 0.01000 chewing gum: - - condiments / relishes: - 0.00500 confectionery froastings: - - egg products: - 0.01000 fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - 0.01000 hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - 0.01000 seasonings / flavors: - 0.10000 snack foods: - - soft candy: - 0.01000 soups: - 0.01000 sugar substitutes: - - sweet sauces: - -   Safety References: European Food Safety Authority (EFSA) reference(s): List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):63759-55-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :62218 National Institute of Allergy and Infectious Diseases:Data 3-methylideneoctan-2-one Chemidplus:0063759557   References:   3-methylideneoctan-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 63759-55-7 Pubchem (cid): 62218 Pubchem (sid): 135019841   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): HMDB37170 FooDB: FDB016166 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these dehydrolinalool FL/FR balsamic balsamic (E)- benzyl tiglate FL/FR earthy dibenzyl ether FL/FR 2- ethyl fenchol FL/FR 2- ethyl hexyl acetate FL/FR geosmin FL/FR geosmin FL/FR heptanal cyclic acetal with glycerol FL/FR heptanal glyceryl acetal FL/FR methyl undecylenate FL/FR 1- nonen-3-ol FL/FR 3- octanol FL/FR 1- octen-3-ol FL/FR 1- octen-3-one FL/FR fatty (E)-2- decenal FL/FR methyl 10-undecenoate FL/FR fermented butyl laevo-lactate FL/FR floral 3- decanol FL/FR nonyl octanoate FL/FR octyl acetate FL/FR 2- phenyl propionaldehyde dimethyl acetal FL/FR 2- phenyl propionaldehyde ethylene glycol acetal FR fruity octyl propionate FL/FR fungal 1- decen-3-ol FL/FR hydroxymethyl hexyl ethyl ketone FL/FR methyl 2-furoate FL/FR green butyl lactate FL/FR earthy acetal FL/FR (Z)-3- hexen-1-yl tiglate FL/FR (Z)- leaf acetal FL/FR melon acetal FL/FR phenyl acetaldehyde dimethyl acetal FL/FR herbal 3- octanone FL/FR honey phenethyl furoate FL/FR moldy strawberry furanone methyl ether FL/FR mushroom 3- octen-2-ol FL/FR (R)-1- octen-3-ol FL/FR 1- octen-3-yl butyrate FL/FR waxy methyl laurate FL/FR (Z)-3- nonen-1-ol FL/FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these 3- decanol FL/FR dehydrolinalool FL/FR earthy acetal FL/FR 2- ethyl hexyl acetate FL/FR geosmin FL/FR heptanal cyclic acetal with glycerol FL/FR heptanal glyceryl acetal FL/FR hydroxymethyl hexyl ethyl ketone FL/FR tris( methyl thio) methane FL nonyl octanoate FL/FR (E)-2- penten-1-ol FL phenethyl furoate FL/FR balsamic balsamic (E)- benzyl tiglate FL/FR buttery butyl laevo-lactate FL/FR caramellic methyl 2-furoate FL/FR earthy 1- decen-3-ol FL/FR 2- ethyl fenchol FL/FR geosmin FL/FR 1- nonen-3-ol FL/FR 1,8- octane dithiol FL 1- octen-3-one FL/FR estery octyl propionate FL/FR fatty dimethyl sulfoxide FL fermented methyl thio isovalerate FL fruity dibenzyl ether FL/FR 2- phenyl propionaldehyde dimethyl acetal FL/FR green butyl lactate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR (Z)- leaf acetal FL/FR melon acetal FL/FR phenyl acetaldehyde dimethyl acetal FL/FR moldy strawberry furanone methyl ether FL/FR mushroom 3- octanone FL/FR 3- octen-2-ol FL/FR (R)-1- octen-3-ol FL/FR 1- octen-3-ol FL/FR 1- octen-3-yl butyrate FL/FR musty 3- octanol FL/FR sulfurous 1-( methyl thio)-2-butanone FL 2- naphthyl mercaptan FL vegetable 2- octen-4-one FL/FR waxy (E)-2- decenal FL/FR methyl 10-undecenoate FL/FR methyl laurate FL/FR methyl undecylenate FL/FR (Z)-3- nonen-1-ol FL/FR octyl 2-furoate FL octyl acetate FL/FR   Potential Uses: FL mushroom   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3- methylene octan-2-one 3- methylene-2-octanone 3- methyleneoctan-2-one 3- methylidene octan-2-one 3- methylideneoctan-2-one 2- octanone, 3-methylene- 2- pentyl but-1-en-3-one   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring ingredient