isobutyl acetoacetate
isobutyl 3-ketobutyrate

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  BOC Sciences

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  Product(s):
  7779-75-1 isoButyl Acetoacetate

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  Penta International Corporation

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  Product(s):
  09-36850 ISOBUTYL ACETOACETATE

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  TCI AMERICA

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  Product(s):
  A0814 isobutyl acetoacetate >98.0%(GC)
  SDS

Name: 2-methylpropyl 3-oxobutanoate CAS Number: 7779-75-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 231-937-5 FDA UNII: 5HI9DAL68Z Nikkaji Web: J133.554E Beilstein Number: 1761405 MDL: MFCD00059349 CoE Number: 242 XlogP3: 1.20 (est) Molecular Weight: 158.19718000 Formula: C8 H14 O3 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: 597 isobutyl acetoacetate DG SANTE Food Flavourings: 09.404 isobutyl acetoacetate FEMA Number: 2177 isobutyl acetoacetate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 7779-75-1 ; ISOBUTYL ACETOACETATE 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: colorless to pale yellow clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.97500 to 0.97900 @ 20.00 °C. Pounds per Gallon - (est).: 8.122 to 8.156 Refractive Index: 1.42300 to 1.42600 @ 20.00 °C. Boiling Point: 196.00 °C. @ 760.00 mm Hg Boiling Point: 84.50 °C. @ 11.00 mm Hg Vapor Pressure: 0.342000 mmHg @ 25.00 °C. (est) Flash Point: 173.00 °F. TCC ( 78.33 °C. ) logP (o/w): 1.230 (est) Soluble in:   alcohol   oils   water, 1.742e+004 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note amyl acetoacetate isoamyl acetoacetate para-anisyl acetoacetate benzyl acetoacetate bergamot acetoacetate butyl acetoacetate cinnamyl acetoacetate cyclohexyl acetoacetate dodecyl acetoacetate ethyl 2-ethyl acetoacetate ethyl acetoacetate geranyl acetoacetate heptyl acetoacetate (Z)-3-hexen-1-yl acetoacetate hexyl acetoacetate jasmin acetoacetate laevo-menthyl acetoacetate methyl acetoacetate spicy acetoacetate   Organoleptic Properties: Odor Type: fruity sweet winey brandy fruity Odor Description:at 10.00 % in dipropylene glycol. sweet wine brandy fruity Flavor Type: fruity sweet fruity Taste Description: sweet fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. isoButyl Acetoacetate Penta International ISOBUTYL ACETOACETATE Santa Cruz Biotechnology For experimental / research use only. isoButyl Acetoacetate Sigma-Aldrich: Aldrich For experimental / research use only. Isobutyl acetoacetate sds TCI AMERICA For experimental / research use only. isobutyl acetoacetate >98.0%(GC) sds   Safety Information: Preferred SDS: View   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 isobutyl acetoacetate usage levels up to:   3.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): ND (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: - 25.00000 beverages(nonalcoholic): - 4.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 7.00000 fruit ices: - 7.00000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 25.00000 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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):7779-75-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :522677 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 2-methylpropyl 3-oxobutanoate Chemidplus:0007779751   References:   2-methylpropyl 3-oxobutanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 7779-75-1 Pubchem (cid): 522677 Pubchem (sid): 135262960 Pherobase: View   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): HMDB36395 FooDB: FDB015274 Export Tariff Code: 2915.39.9050 ChemSpider: View FAO: Isobutyl acetoacetate   Potential Blenders and core components note For Odor anisic ethyl para-anisate FL/FR balsamic terpinyl cinnamate FL/FR caramellic diethyl malate FL/FR maple furanone FL/FR shoyu furanone FL/FR chemical iso butyl formate FL/FR propyl propionate FL/FR citrus 2- ethyl-1-hexanol FL/FR bitter orange peel oil brazil FL/FR earthy amyl octanoate FL/FR octyl phenyl acetate FL/FR ethereal iso amyl acetoacetate FL/FR iso butyl alcohol FL/FR decyl propionate FL/FR ethyl acetate FL/FR ethyl formate FL/FR 2- methyl-1-butanol FL/FR iso propyl formate FL/FR fatty butyl undecylenate FL/FR fermented iso butyl decanoate FL/FR hexanal diethyl acetal FL/FR methyl decanoate FL/FR 3- methyl-1-pentanol FL/FR floral acetophenone FL/FR benzyl isobutyrate FL/FR citronellyl anthranilate FL/FR dihydrolinalool FL/FR dimethyl anthranilate FL/FR 3,6- dimethyl-3-octanol FL/FR ethyl linalool FR ethyl linalyl acetal FR ethyl linalyl acetate FR ethyl linalyl ether FL/FR hexyl nonanoate FL/FR linalool FL/FR laevo- linalool FL/FR dextro- linalool FL/FR linalool oxide FL/FR linalyl anthranilate FL/FR methyl citronellate FL/FR rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR terpinyl valerate FL/FR tetrahydrolinalool FL/FR fruity butyl acetoacetate FL/FR butyl anthranilate FL/FR butyl formate FL/FR butyl hexanoate FL/FR diethyl laevo-tartrate FL/FR diethyl sebacate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl benzoyl acetate FL/FR ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR farnesyl acetone FL/FR fig crotonate FR geranyl acetoacetate FL/FR 4- heptanone FL/FR 2- hexen-1-ol FL/FR linalyl isobutyrate FL/FR menthyl isovalerate FL/FR methyl anthranilate FL/FR methyl heptanoate FL/FR methyl nonanoate FL/FR 2- pentanone FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR propyl heptanoate FL/FR propyl hexanoate FL/FR iso propyl octanoate FL/FR sorbyl butyrate FL/FR strawberry glycidate 2 FL/FR tropical ionone FL/FR vanilla carboxylate FL/FR green benzaldehyde dimethyl acetal FL/FR green cognac oil FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl valerate FL/FR hexyl isobutyrate FL/FR hexyl phenyl acetate FL/FR (E)-2- octen-1-ol FL/FR 2- octen-1-ol FL/FR herbal iso amyl tiglate FL/FR anthemis nobilis flower oil roman FL/FR clary sage concrete FL/FR white cognac oil FL/FR ethyl chrysanthemate FR phenethyl senecioate FL/FR honey methyl hydrocinnamate FL/FR soapy ethyl undecanoate FL/FR spicy (E)- propyl 2-furan acrylate FL/FR waxy allyl nonanoate FL/FR iso amyl laurate FL/FR ethyl decanoate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR winey butyl angelate FL/FR heptyl decanoate FL/FR 2- hexanol FL/FR For Flavor No flavor group found for these acetaldehyde butyl ethyl acetal FL amyl octanoate FL/FR iso amyl tiglate FL/FR 2- amyl-5 or 6-keto-1,4-dioxane FL butyl acetoacetate FL/FR butyl angelate FL/FR iso butyl decanoate FL/FR butyl formate FL/FR iso butyraldehyde propylene glycol acetal FL decyl propionate FL/FR diethyl laevo-tartrate FL/FR diethyl malate FL/FR ethyl aconitate FL ethyl linalyl ether FL/FR farnesyl acetone FL/FR geranyl acetoacetate FL/FR heptyl decanoate FL/FR hexanal diethyl acetal FL/FR 2- hexanol FL/FR hexyl nonanoate FL/FR dextro- linalool FL/FR methyl hydrocinnamate FL/FR octyl phenyl acetate FL/FR phenethyl senecioate FL/FR sorbyl propionate FL strawberry furanone ethyl ether FL acidic acidic (E)-2- hexenoic acid FL anise ethyl para-anisate FL/FR caramellic maple furanone FL/FR shoyu furanone FL/FR citrus laevo- linalool FL/FR linalool FL/FR ethereal iso butyl alcohol FL/FR ethyl acetate FL/FR ethyl formate FL/FR 2- methyl-1-butanol FL/FR fatty iso amyl laurate FL/FR 2- ethyl-1-hexanol FL/FR methyl decanoate FL/FR 2- octen-1-ol FL/FR (E)-2- octen-1-ol FL/FR floral dihydrolinalool FL/FR linalyl anthranilate FL/FR linalyl isobutyrate FL/FR methyl citronellate FL/FR rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR tetrahydrolinalool FL/FR tropical ionone FL/FR fruity iso amyl acetoacetate FL/FR benzyl isobutyrate FL/FR butyl anthranilate FL/FR butyl hexanoate FL/FR citronellyl anthranilate FL/FR diethyl sebacate FL/FR dimethyl anthranilate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl benzoyl acetate FL/FR ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR 2- furyl pentyl ketone FL 4- heptanone FL/FR 2- hexen-1-ol FL/FR hexyl phenyl acetate FL/FR menthyl isovalerate FL/FR methyl anthranilate FL/FR methyl heptanoate FL/FR (E,E)- methyl sorbate FL bitter orange peel oil brazil FL/FR 2- pentanone FL/FR (E)- propyl 2-furan acrylate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR iso propyl formate FL/FR propyl hexanoate FL/FR iso propyl octanoate FL/FR sorbyl butyrate FL/FR strawberry glycidate 2 FL/FR terpinyl cinnamate FL/FR terpinyl valerate FL/FR vanilla carboxylate FL/FR fusel green cognac oil FL/FR white cognac oil FL/FR green benzaldehyde dimethyl acetal FL/FR (E)-2- heptenal FL (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl valerate FL/FR hexyl isobutyrate FL/FR linalool oxide FL/FR 4- methyl-2-pentenal FL herbal anthemis nobilis flower oil roman FL/FR clary sage concrete FL/FR 3,6- dimethyl-3-octanol FL/FR musty propionaldehyde FL powdery acetophenone FL/FR rummy iso butyl formate FL/FR sulfurous S- ethyl thioacetate FL tropical propyl propionate FL/FR waxy allyl nonanoate FL/FR butyl undecylenate FL/FR ethyl decanoate FL/FR ethyl nonanoate FL/FR ethyl octanoate FL/FR ethyl undecanoate FL/FR propyl heptanoate FL/FR whiskey 3- methyl-1-pentanol FL/FR winey methyl nonanoate FL/FR   Potential Uses: FL brandy FR fruit FR wine   Occurrence (nature, food, other):note   not found in nature   Synonyms:   acetoacetic acid isobutyl ester 3-oxo- butanoic acid 2-methyl propyl ester iso butyl 3-ketobutanoate iso butyl 3-ketobutyrate iso butyl 3-oxobutanoate 2- methyl propyl 3-oxobutanoate 2- methyl-1-propyl acetoacetate 2- methylpropyl 3-oxobutanoate   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring ingredient