Skip Navigation Links
ScientificNameLabel
alpha-ionene
PHCD compound ID : 2114
Chemical Names :
alpha-ionene , Naphthalene.1.2.3.4-tetrahydro-1.1.6-trimethyl-
Molecular Formula : C13H18
Molecular Weight : 174.140851
More Details :
Names & Synonyms: 1,1,6-trimethyltetralin , 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
Smiles: Cc1ccc2c(c1)CCCC2(C)C
InChi : InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
InChi Key : InChIKey=LTMQZVLXCLQPCT-UHFFFAOYSA-N
PubChem ID : 68057
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.898579
Hydrogen bond donor count : 0 Electric dipole moment : 0.417
XLogP : 4.762 VDW volume : 189.881965
Molecular weight : 174.140851 HOMO-LUMO gap : 9.437000
Herb list :
Refrences & Litretures:
  
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
921.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2018'      Volume:''      Page:'2706417'      DOI:'10.1155/2018/2706417'      Title:'Isolation and Identification of Compounds from Bioactive Extracts of Taraxacum officinale Weber ex F. H. Wigg. (Dandelion) as a Potential Source of Antibacterial Agents'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us