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ScientificNameLabel
Benzyl isovalerate
PHCD compound ID : 758
Chemical Names :
Benzyl isovalerate , Phenylmethyl 3-methyl butanoate
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms: benzyl 3-methylbutanoate , 3-methylbutanoic acid (phenylmethyl) ester , (phenylmethyl) 3-methylbutanoate , 3-methylbutyric acid benzyl ester
Smiles: CC(CC(=O)OCc1ccccc1)C
InChi : InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChi Key : InChIKey=HVJKZICIMIWFCP-UHFFFAOYSA-N
PubChem ID : 7651
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.745819
Hydrogen bond donor count : 0 Electric dipole moment : 1.951
XLogP : 2.663 VDW volume : 199.886434
Molecular weight : 192.11503 HOMO-LUMO gap : 9.757000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
53.      Journal:'Industrial Crops and Products'      Year:'2010'      Volume:'31'      Page:'449'      DOI:'10.1016/j.indcrop.2010.01.003'      Title:'The insecticidal activity of Tanacetum parthenium (L.) Schultz Bip. extracts obtained by supercritical ?uid extraction and hydrodistillation'
171.      Journal:'Med Aromat Plants'      Year:'2012'      Volume:'1'      Page:'1000e134'      DOI:'10.4172/2167-0412.1000e134'      Title:'Chemical Composition of the Essential Oil of Quince (Cydonia Oblonga Miller) Leaves'
264.      Journal:'J. Agric. Food Chem'      Year:'1990'      Volume:'38'      Page:'455'      DOI:''      Title:'Headspace Compounds from Flowers of Nicotiana tabacum and Related Species'
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'
662.      Journal:'Fitoterapia'      Year:'2002'      Volume:'73'      Page:'532'      DOI:'10.1016/S0367-326X(02)00175-2'      Title:'Antibacterial and antioxidant activities of Artemisia annua essential oil'
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