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ScientificNameLabel
Ionol
PHCD compound ID : 239
Chemical Names :
Dibunol , 2,6-di-tert-butyl-4-methylphenol , Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl , Butylated hydroxyl toluene , Ionol , Butylatedhydroxytolene , 2,6-bis-(1,1-dimethylethyl)-4-methyl-phenol , Butylated hydroxytoluene
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2,6-ditert-butyl-4-methyl-phenol , 2,6-ditert-butyl-4-methylphenol
Smiles: Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChi : InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
InChi Key : InChIKey=NLZUEZXRPGMBCV-UHFFFAOYSA-N
PubChem ID : 31404
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.484185
Hydrogen bond donor count : 1 Electric dipole moment : 1.570
XLogP : 4.46 VDW volume : 245.62062
Molecular weight : 220.182715 HOMO-LUMO gap : 8.905000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
250.      Journal:'Revista Cubana de Qu?mica'      Year:'2010'      Volume:'XXII'      Page:'65'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF Tamarindus indica L. LEAVES'
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
301.      Journal:'Journal of Chromatography A'      Year:'930'      Volume:'2001'      Page:'1'      DOI:''      Title:'Comparison of simultaneous distillation extraction and solid-phase microextraction for the determination of volatile ?avor components'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
397.      Journal:'International Journal of Pharmacology & Toxicology'      Year:'2015'      Volume:'5'      Page:'42'      DOI:''      Title:'CHEMICAL AND ANTIMICROBIAL PROPERTIES OF ESSENTIAL OILS OF Olea europea L'
568.      Journal:'J. Essent. Oil Res'      Year:'2005'      Volume:'17'      Page:'312'      DOI:''      Title:'Essential Oils in the Leaves of Cocoa (Theobroma cacao L.) Clone UIT1 and NA33'
635.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'566'      Page:'172'      DOI:'10.1016/j.aca.2006.03.014'      Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'
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