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ScientificNameLabel
Ethyl butyrate
PHCD compound ID : 890
Chemical Names :
Ethyl butyrate , Ethyl butanoate , ethyl n-butyrate
Molecular Formula : C6H12O2
Molecular Weight : 116.08373
More Details :
Names & Synonyms: ethyl butanoate , butanoic acid ethyl ester , butyric acid ethyl ester
Smiles: CCCC(=O)OCC
InChi : InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChi Key : InChIKey=OBNCKNCVKJNDBV-UHFFFAOYSA-N
PubChem ID : 7762
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.754820
Hydrogen bond donor count : 0 Electric dipole moment : 2.078
XLogP : 1.486 VDW volume : 127.276361
Molecular weight : 116.08373 HOMO-LUMO gap : 11.949000
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'
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'
463.      Journal:'J. Agric. Food Chem'      Year:'2007'      Volume:'55'      Page:'6087'      DOI:'10.1021/jf070464h'      Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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