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ScientificNameLabel
ethyl phenyllactate
PHCD compound ID : 658
Chemical Names :
ethyl phenyllactate , Ethylphenyl acetate , Ethyl phenylacetate
Molecular Formula : C10H12O2
Molecular Weight : 164.08373
More Details :
Names & Synonyms: ethyl 2-phenylacetate , 2-phenylacetic acid ethyl ester , ethyl 2-phenylethanoate
Smiles: CCOC(=O)Cc1ccccc1
InChi : InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChi Key : InChIKey=DULCUDSUACXJJC-UHFFFAOYSA-N
PubChem ID : 7590
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.658902
Hydrogen bond donor count : 0 Electric dipole moment : 1.617
XLogP : 1.997 VDW volume : 165.294465
Molecular weight : 164.08373 HOMO-LUMO gap : 9.741000
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'
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'
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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