Skip Navigation Links
ScientificNameLabel
4Hydroxy-4-methyl-2-pentanone
PHCD compound ID : 2279
Chemical Names :
4-Hydroxy-4-methyl-pentan-2-one , 4-hydroxy-4-methyl-2-pentanone , 2-Pentanone,4-hydroxy-4-methyl , 2-Pentanone.4-hydroxy-4-methyl- , 4Hydroxy-4-methyl-2-pentanone , 4-Hydroxy-4-methylpentan-2-one
Molecular Formula : C6H12O2
Molecular Weight : 116.08373
More Details :
Names & Synonyms: 4-hydroxy-4-methyl-pentan-2-one , 4-hydroxy-4-methyl-2-pentanone , 4-hydroxy-4-methylpentan-2-one , 4-methyl-4-oxidanyl-pentan-2-one
Smiles: CC(=O)CC(O)(C)C
InChi : InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChi Key : InChIKey=SWXVUIWOUIDPGS-UHFFFAOYSA-N
PubChem ID : 31256
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.359419
Hydrogen bond donor count : 1 Electric dipole moment : 4.385
XLogP : 0.183 VDW volume : 127.276361
Molecular weight : 116.08373 HOMO-LUMO gap : 10.958000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
346.      Journal:'African Journal of Biotechnology'      Year:'2008'      Volume:'7'      Page:'4364'      DOI:''      Title:'Composition and antimicrobial properties of essential oil of Foeniculum vulgare'
363.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'273'      DOI:'10.3390/molecules14010273'      Title:'The Main Chemical Composition and in vitro Antifungal Activity of the Essential Oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth'
397.      Journal:'International Journal of Pharmacology & Toxicology'      Year:'2015'      Volume:'5'      Page:'42'      DOI:''      Title:'CHEMICAL AND ANTIMICROBIAL PROPERTIES OF ESSENTIAL OILS OF Olea europea L'
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
529.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2004'      Volume:'7'      Page:'120'      DOI:'10.1080/0972-060X.2004.10643376'      Title:'Essential oils composition of Nepeta cataria L. and Nepeta crassifolia Boiss. and Buhse from Iran'
703.      Journal:'BioMed Research International'      Year:'2013'      Volume:'2013'      Page:'1'      DOI:'10.1155/2013/696835'      Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us