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ScientificNameLabel
diacetyl
PHCD compound ID : 2104
Chemical Names :
diacetyl , Diacetyl (Butan-2,4-dione) , 2,3-butanedione , 2,3-butandione
Molecular Formula : C4H6O2
Molecular Weight : 86.036779
More Details :
Names & Synonyms: butane-2,3-dione , biacetyl
Smiles: CC(=O)C(=O)C
InChi : InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChi Key : InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N
PubChem ID : 650
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.873325
Hydrogen bond donor count : 0 Electric dipole moment : 5.078
XLogP : -0.164 VDW volume : 90.047933
Molecular weight : 86.036779 HOMO-LUMO gap : 9.394000
Herb list :
Refrences & Litretures:
  
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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'
589.      Journal:'Food Chemistry'      Year:'2004'      Volume:'84'      Page:'367'      DOI:'10.1016/S0308-8146(03)00241-3'      Title:'Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds)'
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