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ScientificNameLabel
2-heptanol
PHCD compound ID : 2246
Chemical Names :
Heptan-2-ol , 2-heptanol
Molecular Formula : C7H16O1
Molecular Weight : 116.120115
More Details :
Names & Synonyms: heptan-2-ol , 2-heptanol
Smiles: CCCCC[C@H](O)C
InChi : InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChi Key : InChIKey=CETWDUZRCINIHU-SSDOTTSWSA-N
PubChem ID : 10976
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.486650
Hydrogen bond donor count : 1 Electric dipole moment : 1.971
XLogP : 2.449 VDW volume : 138.418578
Molecular weight : 116.120115 HOMO-LUMO gap : 13.556000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
306.      Journal:'Int. J. Biol. Chem'      Year:'2010'      Volume:'4'      Page:'190'      DOI:'10.3923/ijbc.2010.190.202'      Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
380.      Journal:'Food and Chemical Toxicology'      Year:'2008'      Volume:'46'      Page:'3295'      DOI:'10.1016/j.fct.2008.07.017'      Title:'Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale'
383.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'186'      DOI:'10.1080/10412905.2004'      Title:'Chemical Composition of the Essential Oil of Zingiber officinale Roscoe L. from Cuba'
705.      Journal:'Phytother. Res'      Year:'2007'      Volume:'21'      Page:'501'      DOI:'10.1002/ptr.2124'      Title:'The Chemical Composition and Biological Activity of Clove Essential Oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): A Short Review'
711.      Journal:'Food Chemistry'      Year:'2001'      Volume:'74'      Page:'443'      DOI:''      Title:'Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry]'
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'
790.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'521'      DOI:'10.1080/10412905.2010.9700388'      Title:'GC and GC/MS Analysis of the Volatile Constituents of the Oils of Alpinia galanga (L.) Willd and A. officinarum Hance Rhizomes'
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