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ScientificNameLabel
Pentanone-2
PHCD compound ID : 2261
Chemical Names :
Pentan-2-one , Pentanone-2 , 2-Pentanone
Molecular Formula : C5H10O1
Molecular Weight : 86.073165
More Details :
Names & Synonyms: pentan-2-one , 2-pentanone
Smiles: CCCC(=O)C
InChi : InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChi Key : InChIKey=XNLICIUVMPYHGG-UHFFFAOYSA-N
PubChem ID : 7895
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.116240
Hydrogen bond donor count : 0 Electric dipole moment : 3.208
XLogP : 1.007 VDW volume : 101.19015
Molecular weight : 86.073165 HOMO-LUMO gap : 11.063000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
263.      Journal:'Z Lebensm Unters Forsch A'      Year:'1997'      Volume:'205'      Page:'218'      DOI:''      Title:'Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds'
317.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8310'      DOI:'10.1021/jf0580869'      Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
552.      Journal:'Radiation Physics and Chemistry'      Year:'2009'      Volume:'78'      Page:'407'      DOI:'10.1016/j.radphyschem.2009.03.008'      Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'
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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