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ScientificNameLabel
Octyl butyrate
PHCD compound ID : 2315
Chemical Names :
Octyl butanoate , Butanoic acid,octyl ester , Octyl butyrate
Molecular Formula : C12H24O2
Molecular Weight : 200.17763
More Details :
Names & Synonyms: octyl butanoate , butanoic acid octyl ester , butyric acid octyl ester
Smiles: CCCCCCCCOC(=O)CCC
InChi : InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChi Key : InChIKey=PWLNAUNEAKQYLH-UHFFFAOYSA-N
PubChem ID : 61030
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.711046
Hydrogen bond donor count : 0 Electric dipole moment : 2.090
XLogP : 4.689 VDW volume : 231.052269
Molecular weight : 200.17763 HOMO-LUMO gap : 11.908000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
283.      Journal:'J. Bio. & Env. Sci'      Year:'2015'      Volume:'6'      Page:'187'      DOI:''      Title:'Identification of the volatile composition of Stachys lavandulifolia Vahl. and Salvia spinosa L. in Isfahan climatic conditions'
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'
649.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'296'      DOI:'10.1080/10412905.2004.9698725'      Title:'Analysis of the Oil of Heracleum persicum L. (Seeds and Stems)'
651.      Journal:'Bioscience Research'      Year:'2005'      Volume:'2'      Page:'107'      DOI:''      Title:'Cytotoxicity and chemical constituents of the volatile oil of golpar (heracleum persicum desf. Ex Fischer)'
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