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ScientificNameLabel
1-phenyl-1-butanol
PHCD compound ID : 3093
Chemical Names :
1-phenyl-1-butanol , Alpha-Proyl-benzenemethanol
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 1-phenylbutan-1-ol , 1-phenyl-1-butanol
Smiles: CCC[C@@H](c1ccccc1)O
InChi : InChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3/t10-/m0/s1
InChi Key : InChIKey=HQRWWHIETAKIMO-JTQLQIEISA-N
PubChem ID : 95372
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.694904
Hydrogen bond donor count : 1 Electric dipole moment : 1.451
XLogP : 2.046 VDW volume : 159.140697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.766000
Herb list :
Refrences & Litretures:
  
406.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'10410'      DOI:'10.1021/jf102248j'      Title:'Essential Oils, Phenolics, and Antioxidant Activities of Different Parts of Cumin (Cuminum cyminum L.)'
407.      Journal:'Journal of Chromatography A'      Year:'2006'      Volume:'1102'      Page:'11'      DOI:'10.1016/j.chroma.2005.10.032'      Title:'Improved solvent-free microwave extraction of essential oil from dried Cuminum cyminum L. and Zanthoxylum bungeanum Maxim'
410.      Journal:'Food Chemistry'      Year:'2009'      Volume:'115'      Page:'1114'      DOI:'10.1016/j.foodchem.2008.12.091'      Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
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