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ScientificNameLabel
Methyl thymol
PHCD compound ID : 947
Chemical Names :
Methyl thymol
Molecular Formula : C11H16O1
Molecular Weight : 164.120115
More Details :
Names & Synonyms: 6-isopropyl-2,3-dimethyl-phenol , 2,3-dimethyl-6-propan-2-ylphenol , 2,3-dimethyl-6-propan-2-yl-phenol
Smiles: CC(c1ccc(c(c1O)C)C)C
InChi : InChI=1S/C11H16O/c1-7(2)10-6-5-8(3)9(4)11(10)12/h5-7,12H,1-4H3
InChi Key : InChIKey=DTCVWQAPCDRBKX-UHFFFAOYSA-N
PubChem ID : 21954128
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.781569
Hydrogen bond donor count : 1 Electric dipole moment : 0.815
XLogP : 2.668 VDW volume : 176.436681
Molecular weight : 164.120115 HOMO-LUMO gap : 9.160000
Herb list :
Refrences & Litretures:
  
75.      Journal:'Food Chemistry'      Year:'2005'      Volume:'90'      Page:'609'      DOI:'10.1016/j.foodchem.2004.04.020'      Title:'Analysis of the essential oils of two Thymus species from Iran'
254.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'23'      Page:'91'      DOI:'10.1080/10412905.2011.9700432'      Title:'Constituents of the Essential Oil from Hairy Roots and Plant Roots of Arnica montana L'
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
577.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'14'      DOI:'10.1080/10412905.2007.9699217'      Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
685.      Journal:'Food Chemistry'      Year:'2006'      Volume:'99'      Page:'19'      DOI:'10.1016/j.foodchem.2005.07.026'      Title:'In?uence of drying and extraction methods on yield and chemical composition of the essential oil of Satureja hortensis'
790.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'521'      DOI:'10.1080/10412905.2010.9700388'      Title:'GC and GC/MS Analysis of the Volatile Constituents of the Oils of Alpinia galanga (L.) Willd and A. officinarum Hance Rhizomes'
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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