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ScientificNameLabel
Ethyl laurate
PHCD compound ID : 1566
Chemical Names :
Ethyl laurate , Ethyl dodecanoate , Dodecanoic acid,ethyl ester
Molecular Formula : C14H28O2
Molecular Weight : 228.20893
More Details :
Names & Synonyms: ethyl dodecanoate , dodecanoic acid ethyl ester , lauric acid ethyl ester
Smiles: CCCCCCCCCCCC(=O)OCC
InChi : InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
InChi Key : InChIKey=MMXKVMNBHPAILY-UHFFFAOYSA-N
PubChem ID : 7800
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.722244
Hydrogen bond donor count : 0 Electric dipole moment : 2.039
XLogP : 6.038 VDW volume : 265.644238
Molecular weight : 228.20893 HOMO-LUMO gap : 11.915000
Herb list :
Refrences & Litretures:
  
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'
432.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'191'      DOI:'10.1080/10412905.2003.9712109'      Title:'Volatile Constituents of the Leaves of Ziziphus spinachristi (LmW) illd. from Bushehr, Iran'
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'
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'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
774.      Journal:'Asian Journal of Chemistry'      Year:'2011'      Volume:'23'      Page:'1940'      DOI:''      Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
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