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Alpha-Thuiene
PHCD compound ID : 153
Chemical Names :
Alpha-Thuiene , 2-Methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene , 2-Methyl-5-(1-methylethyl)-bicyclo [3.1.0]hex-2-ene , Alpha-thujene
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: 1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-ene , 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene , 4-methyl-1-propan-2-yl-bicyclo[3.1.0]hex-3-ene
Smiles: CC1=CC[C@]2([C@@H]1C2)C(C)C
InChi : InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1
InChi Key : InChIKey=KQAZVFVOEIRWHN-NXEZZACHSA-N
PubChem ID : 17868
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.118234
Hydrogen bond donor count : 0 Electric dipole moment : 0.277
XLogP : 4.177 VDW volume : 154.166929
Molecular weight : 136.125201 HOMO-LUMO gap : 10.304000
Herb list :
Refrences & Litretures:
  
9.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'1072'      DOI:'10.1016/j.foodchem.2008.07.015'      Title:'Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: Comparison of three different extraction methods'
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'
409.      Journal:'Analytica Chimica Acta'      Year:'2009'      Volume:'647'      Page:'72'      DOI:'10.1016/j.aca.2009.05.030'      Title:'Ultrasonic nebulization extraction coupled with headspace single drop microextraction and gas chromatography–mass spectrometry for analysis of the essential oil in Cuminum cyminum L'
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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