Skip Navigation Links
ScientificNameLabel
Benzyl tiglate
PHCD compound ID : 4175
Chemical Names :
Benzyl tiglate
Molecular Formula : C12H14O2
Molecular Weight : 190.09938
More Details :
Names & Synonyms: benzyl (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid (phenylmethyl) ester , (phenylmethyl) (E)-2-methylbut-2-enoate , (E)-2-methylbut-2-enoic acid benzyl ester
Smiles: C/C=C(/C(=O)OCc1ccccc1)\C
InChi : InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+
InChi Key : InChIKey=QRGSTISKDZCDHV-XCVCLJGOSA-N
PubChem ID : 250096
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.621069
Hydrogen bond donor count : 0 Electric dipole moment : 2.411
XLogP : 2.33 VDW volume : 197.249975
Molecular weight : 190.09938 HOMO-LUMO gap : 9.630000
Herb list :
Refrences & Litretures:
  
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'
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us