Skip Navigation Links
ScientificNameLabel
Isoamyl hexanoate
PHCD compound ID : 2295
Chemical Names :
3-Methylbutyl hexanoate , 3-Ethylbutyl hexanoate C6 isopentile , iso amyl hexanoate , Isoamyl hexanoate
Molecular Formula : C11H22O2
Molecular Weight : 186.16198
More Details :
Names & Synonyms: isopentyl hexanoate , hexanoic acid 3-methylbutyl ester , 3-methylbutyl hexanoate , hexanoic acid isoamyl ester
Smiles: CCCCCC(=O)OCCC(C)C
InChi : InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChi Key : InChIKey=XVSZRAWFCDHCBP-UHFFFAOYSA-N
PubChem ID : 16617
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.661318
Hydrogen bond donor count : 0 Electric dipole moment : 1.912
XLogP : 4.059 VDW volume : 213.756284
Molecular weight : 186.16198 HOMO-LUMO gap : 11.895000
Herb list :
Refrences & Litretures:
  
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'
651.      Journal:'Bioscience Research'      Year:'2005'      Volume:'2'      Page:'107'      DOI:''      Title:'Cytotoxicity and chemical constituents of the volatile oil of golpar (heracleum persicum desf. Ex Fischer)'
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us