Skip Navigation Links
ScientificNameLabel
2-Octanone
PHCD compound ID : 1285
Chemical Names :
2-Octanone , Octan-2-one
Molecular Formula : C8H16O1
Molecular Weight : 128.120115
More Details :
Names & Synonyms: octan-2-one , 2-octanone
Smiles: CCCCCCC(=O)C
InChi : InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChi Key : InChIKey=ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
PubChem ID : 8093
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.107279
Hydrogen bond donor count : 0 Electric dipole moment : 3.097
XLogP : 2.714 VDW volume : 153.078104
Molecular weight : 128.120115 HOMO-LUMO gap : 11.056000
Herb list :
Refrences & Litretures:
  
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
426.      Journal:'Jordan Journal of Biological Sciences'      Year:'2015'      Volume:'8'      Page:'139'      DOI:''      Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
427.      Journal:'Food Chemistry'      Year:'2013'      Volume:'141'      Page:'253'      DOI:'10.1016/j.foodchem.2013.03.007'      Title:'Chemical composition and antimicrobial activity of the essential oils from four Ruta species growing in Algeria'
442.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'270'      DOI:'10.1080/0972060X.2013.794020'      Title:'Iranian Rhus coriaria (sumac) Essential Oils Extraction'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
704.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2015'      Volume:'5'      Page:'1'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Eugenia caryophyllata Cloves Extracted by Conventional and Microwave Techniques'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us