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ScientificNameLabel
Fenchyl acetate
PHCD compound ID : 952
Chemical Names :
endo-Fenchyl acetate , Fenchyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (1,3,3-trimethylnorbornan-2-yl) acetate , acetic acid (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) acetate , (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) ethanoate , acetic acid (1,3,3-trimethylnorbornan-2-yl) ester
Smiles: CC(=O)O[C@H]1[C@@]2(C)CC[C@@H](C1(C)C)C2
InChi : InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
InChi Key : InChIKey=JUWUWIGZUVEFQB-FOGDFJRCSA-N
PubChem ID : 107217
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.288290
Hydrogen bond donor count : 0 Electric dipole moment : 2.096
XLogP : 3.052 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.548000
Herb list :
Refrences & Litretures:
  
79.      Journal:'Chemistry of Natural Compounds'      Year:'2010'      Volume:'46'      Page:'310'      DOI:''      Title:'COMPOSITION OF ESSENTIAL OILS OF LEAVES, STEMS, AND ROOTS OF Thymus kotschyanus VAR. pseuderiophorus GROWING WILD IN IRAN'
125.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'124'      DOI:''      Title:'STUDY OF THE ESSENTIAL OIL VARIATION OF Ferula gummosa SAMPLES FROM IRAN'
344.      Journal:'Food Control'      Year:'2014'      Volume:'35'      Page:'109'      DOI:'10.1016/j.foodcont.2013.06.056'      Title:'Chemical composition, antibacterial activity and mechanism of action of essential oil from seeds of fennel (Foeniculum vulgare Mill.)'
345.      Journal:'Arabian Journal of Chemistry'      Year:'2014'      Volume:'7'      Page:'480'      DOI:'10.1016/j.arabjc.2010.11.006'      Title:'Chemical composition and larvicidal activity of Algerian Foeniculum vulgare seed essential oil'
346.      Journal:'African Journal of Biotechnology'      Year:'2008'      Volume:'7'      Page:'4364'      DOI:''      Title:'Composition and antimicrobial properties of essential oil of Foeniculum vulgare'
352.      Journal:'Food Control'      Year:'2006'      Volume:'17'      Page:'745'      DOI:'10.1016/j.foodcont.2005.03.010'      Title:'Chemical constituents, antifungal and antioxidative potential of Foeniculum vulgare volatile oil and its acetone extract'
366.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1108'      DOI:'10.1080/0972060X.2014.884763'      Title:'Screening of the Essential Oil, Hexane Extract, Chemical Composition, Antioxidant Activity, andAntimicrobial Acitivity of the Flower Rheum ribes L. from Iran'
367.      Journal:'J Pharm Health Sci'      Year:'2014'      Volume:'2'      Page:'115'      DOI:''      Title:'Screening of Flowers Essential Oil and Hexane Extract of Rheum ribes L. from Iran- Chemical Composition, Antioxidant and Antimicrobial Activities'
690.      Journal:'International Journal of Food Microbiology'      Year:'2008'      Volume:'125'      Page:'242'      DOI:'10.1016/j.ijfoodmicro.2008.04.005'      Title:'Tunisian Salvia of?cinalis L. and Schinus molle L. essential oils: Their chemical compositions and their preservative effects against Salmonella inoculated in minced beef meat'
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
898.      Journal:'DARU Journal of Pharmaceutical Sciences'      Year:'1999'      Volume:'7'      Page:'23'      DOI:''      Title:'Volatile constituents of the flower of Salvia hydrangea DC. ex Benth'
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