Skip Navigation Links
ScientificNameLabel
Geranyl Butyrate
PHCD compound ID : 135
Chemical Names :
Geraniol butyrate , Geranyl n-butyrate , Geranyl butanoate(isomer) , Geranyl Butyrate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate , butanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester , butyric acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Smiles: CCCC(=O)OC/C=C(/CCC=C(C)C)\C
InChi : InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
InChi Key : InChIKey=ZSBOMYJPSRFZAL-JLHYYAGUSA-N
PubChem ID : 5355856
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.069093
Hydrogen bond donor count : 0 Electric dipole moment : 0.906
XLogP : 4.086 VDW volume : 260.371321
Molecular weight : 224.17763 HOMO-LUMO gap : 10.024000
Herb list :
Refrences & Litretures:
  
6.      Journal:'Photochemistry and Photobiology'      Year:'2014'      Volume:'90'      Page:'702'      DOI:'10.1111/php.12229'      Title:'Biochemical Composition and Antioxidant Properties of Lavandula angustifolia Miller Essential Oil are Shielded by Propolis Against UV Radiations'
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'
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
781.      Journal:'Digest Journal of Nanomaterials and Biostructures'      Year:'2009'      Volume:'4'      Page:'835'      DOI:''      Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
833.      Journal:'Journal of Chemical and Pharmaceutical Research'      Year:'2015'      Volume:'7'      Page:'78'      DOI:''      Title:'Chemical composition of Citrus aurantium L. leaves and zest essential oils, their antioxidant, antibacterial single and combined effects'
878.      Journal:'Iran J Microbiol'      Year:'2012'      Volume:'4'      Page:'171'      DOI:''      Title:'Antibacterial activity and composition of essential oils from Pelargonium graveolens L’Her and Vitex agnus-castus L'
879.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'372'      DOI:'10.1080/10412905.2013.782476'      Title:'Essential oil composition of Pelargonium graveolens L’Her ex Ait. cultivars harvested in different seasons'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us