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ScientificNameLabel
Dihydrolinalyl acetate
PHCD compound ID : 168
Chemical Names :
Dihydro linalool acetate , Dihydrolinalyl acetate
Molecular Formula : C12H22O2
Molecular Weight : 198.16198
More Details :
Names & Synonyms: (1,5-dimethyl-1-vinyl-hexyl) acetate , acetic acid 3,7-dimethyloct-1-en-3-yl ester , 3,7-dimethyloct-1-en-3-yl acetate , 3,7-dimethyloct-1-en-3-yl ethanoate , acetic acid (1-isohexyl-1-methyl-allyl) ester
Smiles: C=C[C@](OC(=O)C)(CCCC(C)C)C
InChi : InChI=1S/C12H22O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,10H,1,7-9H2,2-5H3/t12-/m0/s1
InChi Key : InChIKey=DMSMQGBPJBKXNU-LBPRGKRZSA-N
PubChem ID : 109318
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.209444
Hydrogen bond donor count : 0 Electric dipole moment : 2.234
XLogP : 4.065 VDW volume : 228.41581
Molecular weight : 198.16198 HOMO-LUMO gap : 11.175000
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'
131.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'99'      DOI:'10.1002/jssc.200800404'      Title:'Essential oil composition of Citrusmedica L. Cv. Diamante (Diamante citron) determined after using different extractionmethods'
206.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2003'      Volume:'6'      Page:'185'      DOI:'10.1080/0972-060X.2003.10643349'      Title:'Chemical composition and antibacterial activity of essential oil from fruits of Vitex agnus-castus L. (Verbenaceae) growing in Turkey'
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