Skip Navigation Links
ScientificNameLabel
Ethyl pentanoate
PHCD compound ID : 2291
Chemical Names :
Ethyl pentanoate , ethyl n-valerate , Valeric acid, ethyl ester
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: ethyl pentanoate , pentanoic acid ethyl ester , valeric acid ethyl ester
Smiles: CCCCC(=O)OCC
InChi : InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChi Key : InChIKey=ICMAFTSLXCXHRK-UHFFFAOYSA-N
PubChem ID : 10882
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.745441
Hydrogen bond donor count : 0 Electric dipole moment : 1.990
XLogP : 2.055 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.941000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-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'
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us