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ScientificNameLabel
Hexyl tiglate
PHCD compound ID : 197
Chemical Names :
Hexyl tiglate
Molecular Formula : C11H20O2
Molecular Weight : 184.14633
More Details :
Names & Synonyms: hexyl (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid hexyl ester , (E)-2-methylbut-2-enoic acid hexyl ester
Smiles: CCCCCCOC(=O)/C(=C/C)/C
InChi : InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+
InChi Key : InChIKey=JTCIUOKKVACNCK-BJMVGYQFSA-N
PubChem ID : 637523
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.014880
Hydrogen bond donor count : 0 Electric dipole moment : 2.432
XLogP : 3.726 VDW volume : 211.119826
Molecular weight : 184.14633 HOMO-LUMO gap : 10.108000
Herb list :
Refrences & Litretures:
  
12.      Journal:'Journal of Chromatography A'      Year:'2001'      Volume:'917'      Page:'245'      DOI:''      Title:'On-site ?eld sampling and analysis of fragrance from living Lavender (Lavandula angustifolia L.) ?owers by solid-phase microextraction coupled to gas chromatography and ion-trap mass spectrometry'
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
826.      Journal:'Jeobp'      Year:'2007'      Volume:'10'      Page:'314'      DOI:''      Title:'Essential Oil Composition of Chenopodium botrys L. from Iran'
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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