Skip Navigation Links
ScientificNameLabel
Butyl caprilate
PHCD compound ID : 891
Chemical Names :
Butyl caprilate , Butyl octanoate , Butyl-octanoate
Molecular Formula : C12H24O2
Molecular Weight : 200.17763
More Details :
Names & Synonyms: butyl octanoate , octanoic acid butyl ester , caprylic acid butyl ester
Smiles: CCCCCCCC(=O)OCCCC
InChi : InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3
InChi Key : InChIKey=PSXNDMJWRZYVTM-UHFFFAOYSA-N
PubChem ID : 11517
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.707954
Hydrogen bond donor count : 0 Electric dipole moment : 2.033
XLogP : 4.689 VDW volume : 231.052269
Molecular weight : 200.17763 HOMO-LUMO gap : 11.908000
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'
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us