Identification

Nameacetyl butyryl
IUPAChexane-2,3-dione
CAS Number3848-24-6
EINECS223-350-8
FDA UNII559ANR3NVS
Molecular FormulaC6 H10 O2
Molecular Weight114.14410000
MDL NumberMFCD00009398
Nikkaji NumberJ64.761F
Beilstein1699896
CoE Number152

Regulatory

JECFA Food Flavoring412 2,3-hexanedione
DG SANTE Food Flavourings07.018 hexane-2,3-dione
FEMA Number2558
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)3848-24-6 ; 2,3-HEXANEDIONE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance yellow clear liquid (est)
Assay 96.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.92600 to 0.93600 @ 25.00 °C.
Pounds per Gallon - (est). 7.705 to 7.788
Refractive Index 1.40600 to 1.41600 @ 20.00 °C.
Melting Point -30.00 °C. @ 760.00 mm Hg
Boiling Point 128.00 °C. @ 760.00 mm Hg
Vapor Pressure 10.000000 mmHg @ 20.00 °C.
Vapor Density 3.9 ( Air = 1 )
Flash Point 83.00 °F. TCC ( 28.33 °C. )
logP (o/w) -0.321 (est)
Soluble in alcohol
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength high ,
Substantivity 220 hour(s) at 100.00 %
Odor Description
at 1.00 % in dipropylene glycol.
Sweet, creamy, caramellic, buttery with a fruity jammy nuance
butter; creamy; oily; sweet
SWEET, CREAMY, BUTTER
Odor sample from Fritzsche Dodge & Olcott, Inc.
Taste Description
at 50.00 ppm.
creamy fruity toasted brown caramel

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 > 5000 mg/kg
Dermal Toxicityskin-rabbit LD50 > 5000 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for acetyl butyryl usage levels up to1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)8.50 (μg/capita/day)
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
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-

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Potential Uses

FR butter FR butterscotch FL caramel FL cheese FR coffee FR cotton candy FL custard FR floral FR pineapple FR vanilla

Natural Occurrence

beer PMC chicken roast chicken PMC clam PMC coffee PMC peach fruit

Synonyms

acetyl butyryl acetyl butyryl natural acetyl-N-butyryl acetylbutyryl butyryl acetyl 2,3- hexane dione hexane-2,3-dione 2,3- hexanedione methyl propyl diketone US Patents: 3,952,024 - Furfurylthioacetone PubMed: NTP Research Report on Respiratory Tract Toxicity of the Flavoring Agent 2,3-Hexanedione in Mice Exposed by Inhalation: Research Report 10 US Patents: Certain 2,5-dimethyl-3-thiopyrazines PubMed: Pheromone Chemistry of the Citrus Borer, Diploschema rotundicolle (Coleoptera: Cerambycidae) PubMed: Chemical Reactivity and Respiratory Toxicity of the à-Diketone Flavoring Agents: 2,3-Butanedione, 2,3-Pentanedione, and 2,3-Hexanedione PubMed: Exposures and Emissions in Coffee Roasting Facilities and Caf‚s: Diacetyl, 2,3-Pentanedione, and Other Volatile Organic Compounds PubMed: Models of toxicity of diacetyl and alternative diones PubMed: Increased sensitivity of OSHA method analysis of diacetyl and 2,3-pentanedione in air PubMed: Enantioselective Synthesis of Vicinal (R,R)-Diols by Saccharomyces cerevisiae Butanediol Dehydrogenase PubMed: The Male-Produced Aggregation-Sex Pheromone of the Cerambycid Beetle Plagionotus detritus ssp. detritus PubMed: Evaluation of the hypersensitivity potential of alternative butter flavorings PubMed: Probing mechanisms of axonopathy. Part II: Protein targets of 2,5-hexanedione, the neurotoxic metabolite of the aliphatic solvent n-hexane PubMed: The Role of Minor Pheromone Components in Segregating 14 Species of Longhorned Beetles (Coleoptera: Cerambycidae) of the Subfamily Cerambycinae PubMed: Identification and measurement of diacetyl substitutes in dry bakery mix production PubMed: Synthesis, characterization, powder X-ray diffraction analysis, thermal stability, antioxidant properties and enzyme inhibitions of M(II)-Schiff base ligand complexes PubMed: Apoptotic and necrotic effects of hexanedione derivatives on the human neuroblastoma line SK-N-SH PubMed: Potent inhibition of human carbonyl reductase 1 (CBR1) by the prenylated chalconoid xanthohumol and its related prenylflavonoids isoxanthohumol and 8-prenylnaringenin PubMed: Formaldehyde, glyoxal, urethane, methyl carbamate, 2,3-butanedione, 2,3-hexanedione, ethyl acrylate, dibromoacetonitrile and 2-hydroxypropionitrile induce chromosome loss in Saccharomyces cerevis PubMed: Physiological and oral parameters contribute prediction of retronasal aroma release in an elderly cohort PubMed: Occupational exposures of flour dust and airborne chemicals at bakeries in Taiwan PubMed: Design, synthesis and biological evaluation of benzo[e][1,2,4]triazin-7(1H)-one and [1,2,4]-triazino[5,6,1-jk]carbazol-6-one derivatives as dual inhibitors of beta-amyloid aggregation and acetyl/ PubMed: Inhibition of the reconstituted mitochondrial oxoglutarate carrier by arginine-specific reagents PubMed: A comparison of the apoptotic and cytotoxic effects of hexanedione derivatives on human non-neuronal lines and the neuroblastoma line SH-SY5Y PubMed: A multi-technique analytical approach for impurity profiling during synthesis: The case of difluprednate PubMed: Evaluation of four à-diketones for toll-like receptor-4 (TLR-4) activation in a human transfected cell line PubMed: Characterization of a newly isolated strain Comamonas sp. ZF-3 involved in typical organics degradation in coking wastewater PubMed: (R)-3-hydroxyhexan-2-one is a major pheromone component of Anelaphus inflaticollis (Coleoptera: Cerambycidae) PubMed: Application of gas-diffusion microextraction to solid samples using the chromatographic determination of à-diketones in bread as a case study PubMed: Carbonyl reductases from Daphnia are regulated by redox cycling compounds PubMed: Sampling and Analytical Method for Alpha-Dicarbonyl Flavoring Compounds via Derivatization with o-Phenylenediamine and Analysis Using GC-NPD PubMed: S-nitrosoglutathione covalently modifies cysteine residues of human carbonyl reductase 1 and affects its activity PubMed: Airway injury in an in vitro human epithelium-fibroblast model of diacetyl vapor exposure: diacetyl-induced basal/suprabasal spongiosis PubMed: Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol PubMed: Molecular mechanism of hexane neuropathy: significant differences in pharmacokinetics between 2.3-, 2.4-, and 2.5-hexanedione PubMed: Major differences exist in the function and tissue-specific expression of human aflatoxin B1 aldehyde reductase and the principal human aldo-keto reductase AKR1 family members PubMed: Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D PubMed: Adiponectin enhances the responsiveness of the olfactory system PubMed: Rapid and sensitive determination of the intermediates of advanced glycation end products in the human nail by ultra-performance liquid chromatography with electrospray ionization time-of-flight PubMed: Male-produced aggregation pheromone of the cerambycid beetle Neoclytus acuminatus acuminatus PubMed: Synthesis and antimicrobial activity of 3-hydroxyimino-5-methyl-2-hexanone(HIMH) and its dioxime derivative PubMed: Antimicrobial effect of Cu(II) complexes containing oxime ligands PubMed: Multi-capillary column-ion mobility spectrometry of volatile metabolites emitted by Saccharomyces cerevisiae PubMed: Key aroma compounds and metabolic profiling of Debaryomyces hansenii L1-1-fermented Flos Sophorae PubMed: The kinetic method as a structural diagnostic tool: ionized alpha-diketones as loosely one-electron bonded diacylium ion dimers PubMed: Mass, IR, electronic and EPR spectral studies on transition metal complexes with a new tetradentate 12-membered new macrocyclic ligand