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ScientificNameLabel
acetoin
PHCD compound ID : 674
Chemical Names :
acetoin , 3-hydroxy-2-butanone
Molecular Formula : C4H8O2
Molecular Weight : 88.052429
More Details :
Names & Synonyms: 3-hydroxybutan-2-one , 3-hydroxy-2-butanone , 3-oxidanylbutan-2-one
Smiles: CC(=O)[C@H](O)C
InChi : InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1
InChi Key : InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
PubChem ID : 179
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.158565
Hydrogen bond donor count : 1 Electric dipole moment : 3.239
XLogP : -0.326 VDW volume : 92.684392
Molecular weight : 88.052429 HOMO-LUMO gap : 10.679000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
400.      Journal:'LWT - Food Science and Technology'      Year:'2008'      Volume:'41'      Page:'2017'      DOI:'10.1016/j.lwt.2007.12.002'      Title:'Volatile compounds in uninoculated and inoculated table olives with Lactobacillus plantarum (Olea europaea L., cv. Moresca and Kalamata)'
401.      Journal:'Food Chemistry'      Year:'2008'      Volume:'107'      Page:'1522'      DOI:'org/10.1016/j.foodchem.2007.10.008'      Title:'Volatile compounds in table olives (Olea EuropaeaL., Nocellara del Belice cultivar)'
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
587.      Journal:'Leffingwell Reports'      Year:'2015'      Volume:'7'      Page:'1'      DOI:''      Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
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