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ScientificNameLabel
Butanone
PHCD compound ID : 887
Chemical Names :
2-Butanone , Butanone
Molecular Formula : C4H8O1
Molecular Weight : 72.057515
More Details :
Names & Synonyms: butan-2-one , 2-butanone
Smiles: CCC(=O)C
InChi : InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
InChi Key : InChIKey=ZWEHNKRNPOVVGH-UHFFFAOYSA-N
PubChem ID : 6569
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.106214
Hydrogen bond donor count : 0 Electric dipole moment : 3.142
XLogP : 0.438 VDW volume : 83.894165
Molecular weight : 72.057515 HOMO-LUMO gap : 11.068000
Herb list :
Refrences & Litretures:
  
72.      Journal:'Industrial Crops and Products'      Year:'2006'      Volume:'24'      Page:'253'      DOI:'10.1016/j.indcrop.2006.06.011'      Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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)'
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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