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ScientificNameLabel
Phenmethyl acetate
PHCD compound ID : 654
Chemical Names :
2-phenylethyl acetate , 2-Phenethyl acetate , Phenmethyl acetate , Beta-Phenylethyl acetate , 2-Phenyiethyl acetate
Molecular Formula : C10H12O2
Molecular Weight : 164.08373
More Details :
Names & Synonyms: 2-phenylethyl acetate , acetic acid 2-phenylethyl ester , 2-phenylethyl ethanoate , acetic acid phenethyl ester
Smiles: CC(=O)OCCc1ccccc1
InChi : InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChi Key : InChIKey=MDHYEMXUFSJLGV-UHFFFAOYSA-N
PubChem ID : 7654
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.462591
Hydrogen bond donor count : 0 Electric dipole moment : 1.918
XLogP : 1.913 VDW volume : 165.294465
Molecular weight : 164.08373 HOMO-LUMO gap : 9.783000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
338.      Journal:'Journal of Chemical Ecology'      Year:'2005'      Volume:'31'      Page:'2217'      DOI:'10.1007/s10886-005-6413-8'      Title:'PLANTYPLANT SIGNALING: ETHYLENE SYNERGIZES VOLATILE EMISSION IN Zea mays INDUCED BY EXPOSURE TO (Z )-3-HEXEN-1-OL'
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
635.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'566'      Page:'172'      DOI:'10.1016/j.aca.2006.03.014'      Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'
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'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
829.      Journal:'Czech Journal of Food Sciences'      Year:'2019'      Volume:'37'      Page:'81'      DOI:'10.17221/202/2017-CJFS'      Title:'Chemical composition, antimicrobial and insecticidal activities of the tunisian Citrus aurantium essential oils'
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