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ScientificNameLabel
benzyl valerate
PHCD compound ID : 509
Chemical Names :
benzyl n-valerate , Phenylmethyl pentanoate , benzyl valerate , Phenyl methyl pentanoate
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms: benzyl pentanoate , pentanoic acid (phenylmethyl) ester , (phenylmethyl) pentanoate , valeric acid benzyl ester
Smiles: CCCCC(=O)OCc1ccccc1
InChi : InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChi Key : InChIKey=YZJCDVRXBOPXSQ-UHFFFAOYSA-N
PubChem ID : 82584
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.790056
Hydrogen bond donor count : 0 Electric dipole moment : 1.946
XLogP : 2.724 VDW volume : 199.886434
Molecular weight : 192.11503 HOMO-LUMO gap : 9.725000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
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'
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'
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