1.02010-04-08 22:09:50 UTC2019-11-26 03:05:26 UTCFDB011799AcetoinConstituent of beer, wine, fresh or cooked apple, fresh or cooked leak, corn, honey, cocoa, butter, cheeses, roasted coffee and other foodstuffs. Flavouring ingredient. [DFC]
Acetoin is a colorless or pale yellow to green yellow liquid with a pleasant, buttery odor. Acetoin is used as an external energy store by a number of fermentive bacteria. Acetoin, along with diacetyl, is one of the compounds giving butter its characteristic flavor. Acetoin is used as a food flavoring (in baked goods) and a fragrance. It can be found in apples, butter, yogurt, asparagus, black currants, blackberry, wheat, broccoli, brussels sprouts, cantaloupe. [Wikipedia].(R)-2-Acetoin(R)-3-Hydroxybutan-2-one(R)-Dimethylketol(S)-2-Acetoin1-Hydroxyethyl methyl ketone2-Acetoin2-Butanol-3-one2-Hydroxy-3-butanone2-Hydroxy-3-oxobutane2,3-Butanolone3-Hydroxy-2-butanone3-Hydroxybutan-2-one3-Hydroxyl-2-butanoneAcetoinAcetoineAcetylmethylcarbinolb-Oxobutanebeta-oxobutaneButan-2-one 3-hydroxyDimethylketolFEMA 2008g-Hydroxy-b-oxobutanegamma-Hydroxy-beta-oxobutanegamma-hydroxy-beta;-oxobutaneMethylacetylcarbinolγ-hydroxy-β-oxobutaneC4H8O288.105188.05242953-hydroxybutan-2-oneacetoin513-86-0CC(O)C(C)=OInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3ROWKJAVDOGWPAT-UHFFFAOYSA-N belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.AcyloinsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsAlpha-hydroxy ketonesHydrocarbon derivativesOrganic oxidesSecondary alcoholsAcyloinAlcoholAliphatic acyclic compoundAlpha-hydroxy ketoneHydrocarbon derivativeKetoneOrganic oxideSecondary alcoholOxygenated hydrocarbonsacetoinmethyl ketoneLiquidlogp-0.66logs0.73solubility4.73e+02 g/lmelting_point15 oClogp-0.14pka_strongest_acidic13.72pka_strongest_basic-3.4iupac3-hydroxybutan-2-oneaverage_mass88.1051mono_mass88.0524295smilesCC(O)C(C)=OformulaC4H8O2inchiInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3inchikeyROWKJAVDOGWPAT-UHFFFAOYSA-Npolar_surface_area37.3refractivity22.39polarizability9.14rotatable_bond_count1acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::EiMs1627Specdb::NmrTwoD1874Specdb::MsIr1904Specdb::MsIr1905Specdb::MsIr1906Specdb::CMs20865Specdb::CMs29430Specdb::CMs38554Specdb::CMs99801Specdb::CMs132900Specdb::CMs140634Specdb::NmrOneD1939Specdb::NmrOneD3890Specdb::NmrOneD4163Specdb::NmrOneD135420Specdb::NmrOneD135421Specdb::NmrOneD135422Specdb::NmrOneD135423Specdb::NmrOneD135424Specdb::NmrOneD135425Specdb::NmrOneD135426Specdb::NmrOneD135427Specdb::NmrOneD135428Specdb::NmrOneD135429Specdb::NmrOneD135430Specdb::NmrOneD135431Specdb::NmrOneD135432Specdb::NmrOneD135433Specdb::NmrOneD135434Specdb::NmrOneD135435Specdb::NmrOneD135436Specdb::NmrOneD135437Specdb::NmrOneD135438Specdb::NmrOneD135439Specdb::NmrOneD166336Specdb::NmrOneD166562Specdb::MsMs2218Specdb::MsMs2219Specdb::MsMs2220Specdb::MsMs5865Specdb::MsMs7067Specdb::MsMs7068Specdb::MsMs7069Specdb::MsMs13739Specdb::MsMs13740Specdb::MsMs13741Specdb::MsMs2252531Specdb::MsMs2253939Specdb::MsMs2290713Specdb::MsMs2290714Specdb::MsMs2290715Specdb::MsMs2644881Specdb::MsMs2644882Specdb::MsMs2644883HMDB0324315688#<Reference:0x0000555674cbd3b8>#<Reference:0x0000555674cbd200>#<Reference:0x0000555674cbd048>#<Reference:0x0000555674cbce90>Alcoholic beveragesUnknowngenericArabica coffeeType 1specificCoffea arabica13443AsparagusType 1specificAsparagus officinalis4686BeerType 2specific0.1466670.420.007mg/100 gBilberryType 1specificVaccinium myrtillus180763Black teaType 1BlackberryType 1specificRubusBreakfast cerealType 2specificCarrotType 1specificDaucus carota ssp. sativus79200Cereals and cereal productsUnknowngenericCocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641CoconutType 1specificCocos nucifera13894Coffee and coffee productsUnknowngenericCornType 1specificZea mays45770.00.00.0mg/100 gEvergreen blackberryType 1specificRubus laciniatusFigType 1specificFicus carica3494FruitsUnknowngenericGarden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679Green bell pepperType 1specificCapsicum annuum4072Green onionType 1Green teaType 1Herbal teaType 1Milk and milk productsUnknowngenericMung beanType 1specificVigna radiata157791Onion-family vegetablesUnknowngenericOrange bell pepperType 1specificCapsicum annuum4072PepperType 1specificCapsicum annuum4072PomesUnknowngenericRed bell pepperType 1specificCapsicum annuum4072Red onionType 1Red raspberryType 1specificRubus idaeus32247Red teaType 1Red wineType 212.63333321.36.6mg/100 gRobusta coffeeType 1specificCoffea canephora49390Soy beanType 1specificGlycine max3847SpearmintType 1specificMentha spicata29719SunflowerType 1specificHelianthus annuus4232TacoType 2specific0.00.00.0mg/100 gTeaType 1specificCamellia sinensis4442TortillaType 2specific0.00.00.0mg/100 gTortilla chipType 2specificWelsh onionType 1specificAllium fistulosum35875White wineType 20.00.00.0Yellow bell pepperType 1specificCapsicum annuum4072butterbutterycreamcreamydairyfattymilkysweet