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ScientificNameLabel
Hexyl caproate
PHCD compound ID : 1571
Chemical Names :
Hexyl caproate , Hexyl hexanoate , Hexyl-caproate , hexanoic acid hexyl ester
Molecular Formula : C12H24O2
Molecular Weight : 200.17763
More Details :
Names & Synonyms: hexyl hexanoate , hexanoic acid hexyl ester
Smiles: CCCCCCOC(=O)CCCCC
InChi : InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
InChi Key : InChIKey=NCDCLPBOMHPFCV-UHFFFAOYSA-N
PubChem ID : 22873
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.704537
Hydrogen bond donor count : 0 Electric dipole moment : 2.048
XLogP : 4.689 VDW volume : 231.052269
Molecular weight : 200.17763 HOMO-LUMO gap : 11.904000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
240.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'331'      DOI:'10.1080/0972060X.2010.10643830'      Title:'Essential Oil Composition of Artemisia dracunculus L. (Tarragon) Growing in Kashmir -India'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
463.      Journal:'J. Agric. Food Chem'      Year:'2007'      Volume:'55'      Page:'6087'      DOI:'10.1021/jf070464h'      Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'
487.      Journal:'Fitoterapia'      Year:'2010'      Volume:'81'      Page:'413'      DOI:'10.1016/j.?tote.2009.11.010'      Title:'Characterization and antimicrobial activity of essential oils of industrial hemp varieties (Cannabis sativa L.)'
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)'
650.      Journal:'Span J Agric Res'      Year:'2014'      Volume:'12'      Page:'1166'      DOI:'10.5424/sjar/2014124-6527'      Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'
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)'
861.      Journal:'Arabian Journal of Chemistry'      Year:'2016'      Volume:'9'      Page:'S1190'      DOI:'10.1016/j.arabjc.2012.01.003'      Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
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