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ScientificNameLabel
Ethyl caprate
PHCD compound ID : 652
Chemical Names :
ethyl decanoate , Ethyl caprate , Doconoate ethyl ester
Molecular Formula : C12H24O2
Molecular Weight : 200.17763
More Details :
Names & Synonyms: ethyl decanoate , decanoic acid ethyl ester , capric acid ethyl ester
Smiles: CCCCCCCCCC(=O)OCC
InChi : InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChi Key : InChIKey=RGXWDWUGBIJHDO-UHFFFAOYSA-N
PubChem ID : 8048
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.728735
Hydrogen bond donor count : 0 Electric dipole moment : 2.026
XLogP : 4.9 VDW volume : 231.052269
Molecular weight : 200.17763 HOMO-LUMO gap : 11.922000
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'
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
572.      Journal:'Natural Product Research'      Year:'2015'      Volume:'29'      Page:'833'      DOI:'10.1080/14786419.2014.989394'      Title:'Fast determination of Ziziphora tenuior L. essential oil by inorganic–organic hybrid material based on ZnO nanoparticles anchored to a composite made from polythiophene and hexagonally ordered silica'
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'
657.      Journal:'Journal of Natural Products'      Year:'2011'      Volume:'4'      Page:'71'      DOI:''      Title:'Chemical analysis of the essential oils from Punica granatum, Vitis vinifera and Cucurbita maxima seeds growing in Lebanon by GC/MS'
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