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ScientificNameLabel
Benzyl acetate
PHCD compound ID : 2367
Chemical Names :
Benzyl acetate , Phenylmethyl acetate
Molecular Formula : C9H10O2
Molecular Weight : 150.06808
More Details :
Names & Synonyms: benzyl acetate , acetic acid (phenylmethyl) ester , (phenylmethyl) ethanoate , acetic acid benzyl ester
Smiles: CC(=O)OCc1ccccc1
InChi : InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChi Key : InChIKey=QUKGYYKBILRGFE-UHFFFAOYSA-N
PubChem ID : 8785
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.823847
Hydrogen bond donor count : 0 Electric dipole moment : 2.194
XLogP : 1.333 VDW volume : 147.99848
Molecular weight : 150.06808 HOMO-LUMO gap : 9.734000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
264.      Journal:'J. Agric. Food Chem'      Year:'1990'      Volume:'38'      Page:'455'      DOI:''      Title:'Headspace Compounds from Flowers of Nicotiana tabacum and Related Species'
572.      Journal:'Natural Product Research'      Year:'2015'      Volume:'29'      Page:'833'      DOI:'10.1080/14786419.2014.989394'      Title:'Fast determination of Ziziphora tenuior L. essential oil by inorganic–organic hybrid material based on ZnO nanoparticles anchored to a composite made from polythiophene and hexagonally ordered silica'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
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]'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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