Skip Navigation Links
ScientificNameLabel
Linalyl formate
PHCD compound ID : 4314
Chemical Names :
Linalyl formate
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms: (1,5-dimethyl-1-vinyl-hex-4-enyl) formate , formic acid 3,7-dimethylocta-1,6-dien-3-yl ester , 3,7-dimethylocta-1,6-dien-3-yl formate , 3,7-dimethylocta-1,6-dien-3-yl methanoate , formic acid (1,5-dimethyl-1-vinyl-hex-4-enyl) ester
Smiles: O=CO[C@@](CCC=C(C)C)(C=C)C
InChi : InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3/t11-/m1/s1
InChi Key : InChIKey=JZOCDHMHLGUPFI-LLVKDONJSA-N
PubChem ID : 61040
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.305519
Hydrogen bond donor count : 0 Electric dipole moment : 2.102
XLogP : 2.972 VDW volume : 208.483367
Molecular weight : 182.13068 HOMO-LUMO gap : 10.156000
Herb list :
Refrences & Litretures:
  
632.      Journal:'J. Med. Plants Res'      Year:'2012'      Volume:'6'      Page:'5495'      DOI:'10.5897/JMPR12.318'      Title:'Analysis of essential oil from nine distinct genotypes of Iranian Damask rose (Rosa damascena Mill)'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
775.      Journal:'J. BioSci. Biotech'      Year:'2013'      Volume:'2'      Page:'39'      DOI:''      Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
776.      Journal:'International Journal of Agriculture and Crop Sciences'      Year:'2013'      Volume:'5'      Page:'828'      DOI:''      Title:'Comparison of Salvia sclarea L. Essential Oil Components in Wild and Field Population'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us