Skip Navigation Links
ScientificNameLabel
Octyl propionate
PHCD compound ID : 4373
Chemical Names :
Octyl propionate , propanoic acid octyl ester
Molecular Formula : C11H22O2
Molecular Weight : 186.16198
More Details :
Names & Synonyms: octyl propanoate , propanoic acid octyl ester , propionic acid octyl ester
Smiles: CCCCCCCCOC(=O)CC
InChi : InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
InChi Key : InChIKey=CEQGYPPMTKWBIU-UHFFFAOYSA-N
PubChem ID : 61096
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.705827
Hydrogen bond donor count : 0 Electric dipole moment : 2.018
XLogP : 4.12 VDW volume : 213.756284
Molecular weight : 186.16198 HOMO-LUMO gap : 11.912000
Herb list :
Refrences & Litretures:
  
648.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'841'      DOI:'10.1080/0972060X.2013.862078'      Title:'Essential Oil Composition of Some Wild Populations of Heracleum persicum Desf. Ex Fischer Growing in Iran'
650.      Journal:'Span J Agric Res'      Year:'2014'      Volume:'12'      Page:'1166'      DOI:'10.5424/sjar/2014124-6527'      Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'
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)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us