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ScientificNameLabel
isoamyl acetate
PHCD compound ID : 645
Chemical Names :
isoamyl acetate , 3-Methylbutyl acetate , 3-methyl-1-butanol acetate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: isopentyl acetate , acetic acid 3-methylbutyl ester , 3-methylbutyl acetate , 3-methylbutyl ethanoate , acetic acid isoamyl ester
Smiles: CC(CCOC(=O)C)C
InChi : InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChi Key : InChIKey=MLFHJEHSLIIPHL-UHFFFAOYSA-N
PubChem ID : 31276
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.789452
Hydrogen bond donor count : 0 Electric dipole moment : 2.132
XLogP : 2.099 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.969000
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'
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'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
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