acetyl isobutyryl
4-methyl-2,3-pentanedione

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  Product(s):
  7493-58-5 2,3-Pentanedione,4-methyl-

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  CJ Latta & Associates, LLC

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  Aromatic Chemicals and Organic Acids.
  CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
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  Product(s):
  ACETYL ISO BUTYRYL

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Flavor Demo Formulas Name: 4-methylpentane-2,3-dione CAS Number: 7493-58-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 231-328-4 FDA UNII: K372XXT72S Nikkaji Web: J110.476D CoE Number: 2043 XlogP3-AA: 0.60 (est) Molecular Weight: 114.14410000 Formula: C6 H10 O2 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: 411 4-methyl-2,3-pentanedione DG SANTE Food Flavourings: 07.063 4-methylpentane-2,3-dione FEMA Number: 2730 4-methyl-2,3-pentanedione FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 7493-58-5 ; 4-METHYL-2,3-PENTANEDIONE FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: pale yellow to yellow clear liquid (est) Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: -2.40 °C. @ 760.00 mm Hg Boiling Point: 116.00 to 118.00 °C. @ 760.00 mm Hg Vapor Pressure: 17.084000 mmHg @ 25.00 °C. (est) Flash Point: 84.00 °F. TCC ( 28.89 °C. ) logP (o/w): -0.477 (est) Soluble in:   alcohol   water, 2.442e+005 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note acetyl butyryl 3-methylpentane-2,4-dione   Organoleptic Properties: Odor Type: buttery sweet fruity buttery creamy fatty Odor Description:at 1.00 % in dipropylene glycol. sweet fruity buttery creamy fatty sweet fruity buttery creamy brown fatty Odor Description:Sweet, fruity, buttery, creamy, with a brown fatty nuance Mosciano, Gerard P&F 17, No. 3, 57, (1992) Flavor Type: creamy sweet creamy fruity buttery cooked estery Taste Description: at 80.00 ppm. Sweet, creamy, fruity, buttery, with a cooked estry nuance Mosciano, Gerard P&F 17, No. 3, 57, (1992) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. 2,3-Pentanedione,4-methyl- CJ Latta & Associates ACETYL ISO BUTYRYL Parchem acetyl isobutyryl 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 acetyl isobutyryl usage levels up to:   0.1000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.30 (μg/capita/day) 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: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 8.30000 beverages(nonalcoholic): - 7.60000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 5.60000 fruit ices: - 5.60000 gelatins / puddings: 1.20000 18.00000 granulated sugar: - - gravies: - - hard candy: - 6.20000 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: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf 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 :24115 National Institute of Allergy and Infectious Diseases:Data 4-methylpentane-2,3-dione Chemidplus:0007493585   References:   4-methylpentane-2,3-dione NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 7493-58-5 Pubchem (cid): 24115 Pubchem (sid): 134987865   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): HMDB31559 FooDB: FDB008172 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these butter starter distillates FL/FR iso valeraldehyde diethyl acetal FL/FR acidic acidic iso butyric acid FL/FR 2- methyl butyric acid FL/FR aldehydic acetyl nonyryl FL/FR almond bitter almond oil replacer FL/FR balsamic cinnamyl benzoate FL/FR bready coffee furanone FL/FR buttery acetoin FL/FR acetoin dimer FL/FR acetoin propylene glycol acetal FL/FR acetyl butyryl FL/FR acetyl propionyl FL/FR apple butter fragrance FR butter cream fragrance FR butter fragrance FR butter oil CO2 extract FL/FR butyl butyryl lactate FL/FR iso butyl lactate FL/FR butyl octanoate FL/FR 2,3- heptane dione FL/FR 3,4- hexane dione FL/FR caramellic butterscotch fragrance FR 2-oxo butyric acid FL/FR alpha,alpha- dimethyl anisyl acetone FL/FR levulinic acid FL/FR strawberry furanone acetate FL/FR cheesy butyric acid FL/FR 2- methyl valeric acid FL/FR cocoa cocoa butter fragrance FR coconut coconut decanone methyl FR coconut fragrance FR coconut specialty FR delta- decalactone FL/FR delta-2- dodecenolactone FL/FR delta- nonalactone FL/FR gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR gamma- octalactone FL/FR delta- undecalactone FL/FR coumarinic epsilon- decalactone FL/FR creamy 2,3- butane diol FR gamma- butyrolactone FL/FR cream fragrance FR creamy lactone FL/FR cyclotene propionate FL/FR 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR (Z)-gamma- jasmolactone FR delta- tridecalactone FL/FR para- vanillic acid FL/FR para- vanillyl alcohol FL/FR waxy lactone FL/FR dairy milk fragrance FR earthy 1- nonen-3-ol FL/FR ethereal decyl propionate FL/FR iso valeraldehyde propylene glycol acetal FL/FR fatty allyl cyclohexyl hexanoate FL/FR butter esters FL/FR butyl undecylenate FL/FR iso butyl undecylenate FL/FR coconut absolute FL/FR (Z)- dairy lactone FL/FR 7- decen-4-olide FL/FR (Z)- ethyl oleate FL/FR ethyl undecylenate FL/FR delta- juniper lactone FL/FR 4- methyl octanoic acid FL/FR (Z)-3- octen-1-ol FL/FR fermented butyl laevo-lactate FL/FR floral para- anisyl butyrate FL/FR benzyl lactate FL/FR jasmin pyranone FL/FR linalyl butyrate FL/FR para- methyl acetophenone FL/FR fruity acetoin acetate FL/FR 1- acetoxyacetone FL/FR bitter almond oil FL/FR iso amyl 2-methyl butyrate FL/FR amyl isobutyrate FL/FR (S)-delta- decalactone FL/FR gamma- decalactone FL/FR gamma- dodecalactone FL/FR ethyl lactate FL/FR farnesyl acetone FL/FR (E)-2- hepten-1-yl acetate FL/FR methyl (Z)-5-octenoate FL/FR 2- methyl butyl butyrate FL/FR 2- nonanone FL/FR octyl butyrate FL/FR octyl heptanoate FL/FR prenyl isobutyrate FL/FR sorbyl butyrate FL/FR strawberry furanone butyrate FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR 2- undecanone FL/FR green iso butyl benzyl carbinol FL/FR butyl lactate FL/FR 3- heptanone FL/FR (Z)-4- hepten-1-ol FL/FR (Z)-4- heptenal FL/FR (Z)-4- heptenal diethyl acetal FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E,Z)-2,6- nonadienal FL/FR herbal benzyl octanoate FL/FR marine marine pyridine FR melon (Z)-6- nonen-1-yl acetate FL/FR milky laevo- glutamine CS mushroom 3- octen-2-ol FL/FR 1- octen-3-yl butyrate FL/FR nutty 2- ethyl pyrazine FL/FR filbert heptenone FL/FR (-)-(E,R)- filbertone FL/FR hazelnut fragrance FR oily butter acids FL/FR petal pyranone FL/FR plastic 1- phenyl-1,2-propane dione FL/FR soapy ethyl undecanoate FL/FR sweet vanilla oleoresin bali FL/FR tonka 6- amyl-alpha-pyrone FL/FR mint lactone FL/FR tropical delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR vanilla ortho- dimethyl hydroquinone FL/FR ethyl vanillin FL/FR ethyl vanillin isobutyrate FL/FR ethyl vanillin propylene glycol acetal FL/FR vanillin FL/FR vanillyl acetate FL/FR vanillyl isobutyrate FL/FR vanillylidene acetone FL/FR vegetable methional FL/FR waxy allyl nonanoate FL/FR iso amyl decanoate FL/FR iso amyl laurate FL/FR 9- decenoic acid FL/FR 5(6)- decenoic acid FL/FR ethyl palmitate FL/FR 2- methyl heptanoic acid FL/FR methyl laurate FL/FR 2- nonanol FL/FR (E)-2- octen-1-yl butyrate FL/FR octyl 2-methyl butyrate FL/FR octyl isobutyrate FL/FR palmitic acid FR phenethyl octanoate FL/FR delta- tetradecalactone FL/FR (E)-2- tridecenal FL/FR undecanoic acid FL/FR For Flavor No flavor group found for these 1- acetoxyacetone FL/FR allyl cyclohexyl hexanoate FL/FR allyl methyl trisulfide FL amyl isobutyrate FL/FR benzyl lactate FL/FR benzyl octanoate FL/FR butter nut rum flavor FL butyl octanoate FL/FR iso butyl undecylenate FL/FR cinnamyl benzoate FL/FR cyclotene propionate FL/FR (S)-delta- decalactone FL/FR 7- decen-4-olide FL/FR 6- decenoic acid FL decyl propionate FL/FR alpha,alpha- dimethyl anisyl acetone FL/FR ortho- dimethyl hydroquinone FL/FR delta-2- dodecenolactone FL/FR ethyl butyryl lactate FL farnesyl acetone FL/FR (E)-2- hepten-1-yl acetate FL/FR 3-( methyl thio) hexanal FL 3- methyl-2-cyclopenten-1-one FL 4,5- octane dione FL (E)-2- octen-1-yl butyrate FL/FR octyl heptanoate FL/FR prenyl isobutyrate FL/FR sodium 4-methyl-2-oxovalerate FL valeraldehyde diethyl acetal FL iso valeraldehyde diethyl acetal FL/FR acidic acidic iso butyric acid FL/FR levulinic acid FL/FR aldehydic acetyl nonyryl FL/FR alliaceous 3- tetrahydrothiophenone FL almond bitter almond oil replacer FL/FR amber iso butyl benzyl carbinol FL/FR anisic para- anisyl butyrate FL/FR balsamic vanillylidene acetone FL/FR berry berries & cream flavor FL blueberry distillates FL bitter glyceryl tributyrate FL brown 2-oxo butyric acid FL/FR buttery acetoin propylene glycol acetal FL/FR apple butter flavor FL bovolide FL butter almond flavor FL butter brickle flavor FL butter cream frosting flavor FL butter crème flavor FL butter enhancers FL sweet butter flavor FL creamy butter flavor FL brown butter flavor FL butter flavor FL butter honey flavor FL butter lemon flavor FL butter maple flavor FL butter nut vanilla flavor FL butter oil CO2 extract FL/FR butter onion garlic flavor FL butter pecan flavor FL butter praline flavor FL butter starter distillates FL/FR butter toffee flavor FL butter vanilla nut flavor FL iso butyl lactate FL/FR butyl laevo-lactate FL/FR butyroin FL diacetyl FL ghee flavor FL 2,3- heptane dione FL/FR 3,4- hexane dione FL/FR 2- methyl valeric acid FL/FR (E)-2- pentenoic acid FL cabbage methyl 2-thiofuroate FL caramellic butter caramel flavor FL butter rum toffee flavor FL butterscotch cream flavor FL butterscotch flavor FL butterscotch toffee flavor FL 3- methyl butyl 2-furyl butyrate FL 1- phenyl-1,2-propane dione FL/FR strawberry furanone acetate FL/FR cheesy 2- nonanone FL/FR chocolate chocolate blueberry flavor FL chocolate butter cream flavor FL citrus butter lemon orange flavor FL coconut delta- decalactone FL/FR massoia bark oil CO2 extract FL (R)- massoia lactone FL 6- methyl coumarin FL gamma- nonalactone (aldehyde C-18 (so-called)) FL/FR creamy acetoin FL/FR acetoin butyrate FL acetyl butyryl FL/FR acetyl ethyl carbinol FL 6- amyl-alpha-pyrone FL/FR butter esters FL/FR butter fat enzyme modified with added butyric acid FL butyl butyryl lactate FL/FR cream enhancers FL creamy lactone FL/FR 5(6)- decenoic acid FL/FR 5,5- dibutyl dihydrofuran-2(3H)-one FL divanillin FL delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR jasmin pyranone FL/FR para- methyl acetophenone FL/FR mint lactone FL/FR delta- nonalactone FL/FR octyl isobutyrate FL/FR delta- tridecalactone FL/FR delta- undecalactone FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR para- vanillic acid FL/FR para- vanillyl alcohol FL/FR waxy lactone FL/FR dairy acetoin dimer FL/FR buttermilk flavor FL cream flavor FL methyl (Z)-5-octenoate FL/FR milk flavor FL earthy 1- nonen-3-ol FL/FR fatty iso amyl laurate FL/FR butter acids FL/FR coconut absolute FL/FR (Z)- dairy lactone FL/FR diacetyl trimer FL (Z)- ethyl oleate FL/FR ethyl undecylenate FL/FR delta- juniper lactone FL/FR 4- methyl octanoic acid FL/FR 2,4- octadien-1-ol FL (Z)-3- octen-1-ol FL/FR (E,E)-2,4- undecadienal FL 2,4- undecadienal FL floral linalyl butyrate FL/FR fruity acetoin acetate FL/FR acetyl isovaleryl FL bitter almond oil FL/FR amaretto cream flavor FL iso amyl 2-methyl butyrate FL/FR apple vanilla flavor FL apricot cream flavor FL banana berry flavor FL banana cream flavor FL banana custard flavor FL banana flavor FL ripe banana flavor FL banana mango flavor FL banana peach flavor FL banana pineapple flavor FL banana split flavor FL berry banana flavor FL berry cream flavor FL blueberry cream flavor FL blueberry vanilla flavor FL gamma- decalactone FL/FR gamma- dodecalactone FL/FR ethyl lactate FL/FR 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR 2- methyl butyl butyrate FL/FR 2- methyl butyric acid FL/FR phenethyl octanoate FL/FR sorbyl butyrate FL/FR strawberry furanone butyrate FL/FR iso valeraldehyde propylene glycol acetal FL/FR green butyl lactate FL/FR heptanal 2,3-butane diol acetal FL (Z)-4- hepten-1-ol FL/FR (Z)-4- heptenal FL/FR (Z)-4- heptenal diethyl acetal FL/FR (Z)-3- hexen-1-yl butyrate FL/FR 3-(5- methyl-2-furyl) butanal FL (E,Z)-2,6- nonadienal FL/FR (Z)-6- nonen-1-yl acetate FL/FR 2,3- octane dione FL herbal 5- hydroxymethyl furfural FL ketonic 3- heptanone FL/FR lactonic gamma- octalactone FL/FR milky gamma- butyrolactone FL/FR mushroom 3- octen-2-ol FL/FR 1- octen-3-yl butyrate FL/FR nutty almond butter flavor FL banana nut flavor FL butter pecan cake flavor FL coffee furanone FL/FR 2- ethyl pyrazine FL/FR filbert heptenone FL/FR (-)-(E,R)- filbertone FL/FR hazelnut flavor FL hazelnut paste FL macadamia nut flavor FL oily petal pyranone FL/FR powdery powdery ketone FL sour butyric acid FL/FR spicy benzylidene acetone FL spiced butter rum flavor FL cinnamon butter flavor FL cinnamon butter pecan flavor FL cinnamon nut butter rum flavor FL sweet honey distillates FL vanilla butter nut flavor FL vanilla oleoresin bali FL/FR toasted acetyl propionyl FL/FR tomato methional FL/FR vanilla ethyl vanillin FL/FR ethyl vanillin isobutyrate FL/FR ethyl vanillin propylene glycol acetal FL/FR vanillin FL/FR vanillyl acetate FL/FR vanillyl isobutyrate FL/FR waxy allyl nonanoate FL/FR iso amyl decanoate FL/FR butyl undecylenate FL/FR epsilon- decalactone FL/FR 9- decenoic acid FL/FR ethyl palmitate FL/FR ethyl undecanoate FL/FR 2- methyl heptanoic acid FL/FR methyl laurate FL/FR 2- nonanol FL/FR octyl 2-furoate FL octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR delta- tetradecalactone FL/FR (E)-2- tridecenal FL/FR undecanoic acid FL/FR 2- undecanone FL/FR winey 5- ethyl-2-methyl pyridine FL   Potential Uses: FR banana FR butter FL butter rum FL/FR cilantro FR cream FL cream ice cream FL cream sour cream FR cumin oil replacer FL custard FL egg nog FL fat FL fat chicken fat FL ghee FR gingergrass FL nut FL rum butter FL soda cream soda   sweaty FL tallow   wool fat FL yogurt   Occurrence (nature, food, other):note   coffee Search PMC Picture   fish sauce Search PMC Picture   Synonyms:   acetyl isobutyryl   acetylisobutyryl   methyl isopropyl diketone 4- methyl pentane-2,3-dione 4- methyl-2,3-pentane dione 4- methyl-2,3-pentanedione 4- methylpentane-2,3-dione 2,3- pentanedione, 4-methyl- iso propyl methyl diketone   Articles: US Patents:3,952,024 - Furfurylthioacetone US Patents:Certain 2,5-dimethyl-3-thiopyrazines

Notes: Flavouring ingredient. Present in beer, malt, krill and coffee