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ScientificNameLabel
Heptanone-2
PHCD compound ID : 2281
Chemical Names :
Heptan-2-one , Heptanone-2 , 2-Heptanone , Heptane-2-one
Molecular Formula : C7H14O1
Molecular Weight : 114.104465
More Details :
Names & Synonyms: heptan-2-one , 2-heptanone
Smiles: CCCCCC(=O)C
InChi : InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChi Key : InChIKey=CATSNJVOTSVZJV-UHFFFAOYSA-N
PubChem ID : 8051
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.109219
Hydrogen bond donor count : 0 Electric dipole moment : 3.169
XLogP : 2.145 VDW volume : 135.782119
Molecular weight : 114.104465 HOMO-LUMO gap : 11.059000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
263.      Journal:'Z Lebensm Unters Forsch A'      Year:'1997'      Volume:'205'      Page:'218'      DOI:''      Title:'Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds'
317.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8310'      DOI:'10.1021/jf0580869'      Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
382.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2005'      Volume:'8'      Page:'187'      DOI:'10.1080/0972060X.2005.10643442'      Title:'Essential Oil Composition of Ginger (Zingiber officinale Roscoe) Rhizomes from Different Place in India'
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'
430.      Journal:'Phytochemistry'      Year:'2002'      Volume:'61'      Page:'573'      DOI:''      Title:'Potential allelochemicals from the essential oil of Ruta graveolens'
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'
498.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'313'      DOI:'10.1080/0972060X.2010.10643826'      Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
544.      Journal:'International Journal of Food Properties'      Year:'2013'      Volume:'16'      Page:'18'      DOI:'10.1080/10942912.2010.513616'      Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
552.      Journal:'Radiation Physics and Chemistry'      Year:'2009'      Volume:'78'      Page:'407'      DOI:'10.1016/j.radphyschem.2009.03.008'      Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'
589.      Journal:'Food Chemistry'      Year:'2004'      Volume:'84'      Page:'367'      DOI:'10.1016/S0308-8146(03)00241-3'      Title:'Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds)'
617.      Journal:'Bull Environ Contam Toxicol'      Year:'2012'      Volume:'88'      Page:'666'      DOI:'10.1007/s00128-012-0535-9'      Title:'Chemical Composition and In Vitro Cytotoxic, Genotoxic Effects of Essential Oil from Urtica dioica L'
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'
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'
707.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'967'      DOI:'10.1080/0972060X.2014.884779'      Title:'Chemical Composition, Antimicrobial andAntioxidant Activities of Eugenia caryophyllata Essential Oil'
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]'
752.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'22'      Page:'483'      DOI:'org/10.1080/10412905.2010.9700377'      Title:'Volatile Constituents in Dried Roots of Isatis tinctorial L. (Brassicaceae)'
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