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ScientificNameLabel
Pentyl butyrate
PHCD compound ID : 1468
Chemical Names :
Pentyl butyrate , Pentyl butanoate
Molecular Formula : C9H18O2
Molecular Weight : 158.13068
More Details :
Names & Synonyms: pentyl butanoate , butanoic acid pentyl ester , butyric acid amyl ester
Smiles: CCCCCOC(=O)CCC
InChi : InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChi Key : InChIKey=CFNJLPHOBMVMNS-UHFFFAOYSA-N
PubChem ID : 10890
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.722201
Hydrogen bond donor count : 0 Electric dipole moment : 2.024
XLogP : 2.982 VDW volume : 179.164315
Molecular weight : 158.13068 HOMO-LUMO gap : 11.921000
Herb list :
Refrences & Litretures:
  
156.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'385'      DOI:''      Title:'The Essential Oil Composition of Artemisia vulgaris L. in Iran'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
648.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'841'      DOI:'10.1080/0972060X.2013.862078'      Title:'Essential Oil Composition of Some Wild Populations of Heracleum persicum Desf. Ex Fischer Growing in Iran'
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