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ScientificNameLabel
Cuminyl acetate
PHCD compound ID : 3107
Chemical Names :
Cuminyl acetate
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms: (4-isopropylphenyl)methyl acetate , acetic acid (4-propan-2-ylphenyl)methyl ester , (4-propan-2-ylphenyl)methyl acetate , (4-propan-2-ylphenyl)methyl ethanoate , acetic acid (4-isopropylbenzyl) ester
Smiles: CC(=O)OCc1ccc(cc1)C(C)C
InChi : InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3
InChi Key : InChIKey=QBCRVYRADYXNOW-UHFFFAOYSA-N
PubChem ID : 100990
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.471709
Hydrogen bond donor count : 0 Electric dipole moment : 2.771
XLogP : 2.693 VDW volume : 199.886434
Molecular weight : 192.11503 HOMO-LUMO gap : 9.500000
Herb list :
Refrences & Litretures:
  
411.      Journal:'Plant Foods Hum Nutr'      Year:'2008'      Volume:'63'      Page:'183'      DOI:'10.1007/s11130-008-0091-y'      Title:'Antioxidant Activity and Chemical Characterization of Essential Oil of Bunium persicum'
412.      Journal:'J. Agr. Sci. Tech'      Year:'2012'      Volume:'14'      Page:'1013'      DOI:''      Title:'Antioxidant Activity of Essential Oil from Black Zira (Bunium persicum Boiss.) Obtained by Microwave-assisted Hydrodistillation'
421.      Journal:'Food Control'      Year:'2009'      Volume:'20'      Page:'1018'      DOI:'10.1016/j.foodcont.2008.12.007'      Title:'Chemical composition and antiaflatoxigenic activity of Carum carvi L., Thymus vulgaris and Citrus aurantifolia essential oils'
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