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ScientificNameLabel
Methyl citronellate
PHCD compound ID : 21
Chemical Names :
Methyl citronellate
Molecular Formula : C11H20O2
Molecular Weight : 184.14633
More Details :
Names & Synonyms: methyl 3,7-dimethyloct-6-enoate , 3,7-dimethyl-6-octenoic acid methyl ester , 3,7-dimethyloct-6-enoic acid methyl ester
Smiles: COC(=O)C[C@H](CCC=C(C)C)C
InChi : InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3/t10-/m0/s1
InChi Key : InChIKey=ZFLPOPCZMXGUOJ-JTQLQIEISA-N
PubChem ID : 61290
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.241091
Hydrogen bond donor count : 0 Electric dipole moment : 1.829
XLogP : 3.498 VDW volume : 211.119826
Molecular weight : 184.14633 HOMO-LUMO gap : 10.378000
Herb list :
Refrences & Litretures:
  
1.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'25'      DOI:'10.1080/0972060X.2010.10643787'      Title:'Chemical and Antimicrobial Studies of Juniperus Sabina L. and Juniperus foetidissima Willd. Essential Oils'
28.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'390'      DOI:''      Title:'Comparison of Volatile Constituents of Acorus calamus and Asarum europaeum Obtained by Different Techniques'
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
117.      Journal:'Rev. Bras. Farmacogn. Braz. J. Pharmacogn'      Year:'2012'      Volume:'22'      Page:'40'      DOI:'10.1590/S0102-695X2011005000186'      Title:'Organic and mineral fertilization and chemical composition of lemon balm (Melissa off cinalis) essential oil'
862.      Journal:'Antioxidants'      Year:'2014'      Volume:'3'      Page:'81'      DOI:'10.3390/antiox3010081'      Title:'Chemical Composition and Antioxidant Properties of Juniper Berry (Juniperus communis L.) Essential Oil. Action of the Essential Oil on the Antioxidant Protection of Saccharomyces cerevisiae Model Organism'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
920.      Journal:'International Journal of Traditional and Natural Medicines'      Year:'2013'      Volume:'2'      Page:'86'      DOI:''      Title:'Composition and Bioactivity of the Essential Oil of Melissa officinalis L. Growing Wild in Tajikistan'
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