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ScientificNameLabel
Hexyl acetate
PHCD compound ID : 102
Chemical Names :
Acetic acid,hexyl ester , Hexyl acetate , n-hexyl acetate
Molecular Formula : C8H16O2
Molecular Weight : 144.11503
More Details :
Names & Synonyms: hexyl acetate , acetic acid hexyl ester , hexyl ethanoate
Smiles: CCCCCCOC(=O)C
InChi : InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChi Key : InChIKey=AOGQPLXWSUTHQB-UHFFFAOYSA-N
PubChem ID : 8908
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.837024
Hydrogen bond donor count : 0 Electric dipole moment : 2.267
XLogP : 2.729 VDW volume : 161.86833
Molecular weight : 144.11503 HOMO-LUMO gap : 11.981000
Herb list :
Refrences & Litretures:
  
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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)'
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749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
829.      Journal:'Czech Journal of Food Sciences'      Year:'2019'      Volume:'37'      Page:'81'      DOI:'10.17221/202/2017-CJFS'      Title:'Chemical composition, antimicrobial and insecticidal activities of the tunisian Citrus aurantium essential oils'
852.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'542'      DOI:'10.1002/ffj.1468'      Title:'Composition of the essential oil of Salvia macrosiphon Boiss. from Iran'
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