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ScientificNameLabel
Lavandulyl aetate
PHCD compound ID : 169
Chemical Names :
Lavandulyl acetate , Lavandulyl aetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (2-isopropenyl-5-methyl-hex-4-enyl) acetate , acetic acid [5-methyl-2-(1-methylethenyl)hex-4-enyl] ester , (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate , (5-methyl-2-prop-1-en-2-yl-hex-4-enyl) ethanoate , acetic acid (2-isopropenyl-5-methyl-hex-4-enyl) ester
Smiles: CC(=O)OC[C@H](C(=C)C)CC=C(C)C
InChi : InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3/t12-/m1/s1
InChi Key : InChIKey=HYNGAVZPWWXQIU-GFCCVEGCSA-N
PubChem ID : 30247
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.266246
Hydrogen bond donor count : 0 Electric dipole moment : 2.204
XLogP : 2.938 VDW volume : 225.779352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.428000
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'
10.      Journal:'Journal of Chromatography A'      Year:'2005'      Volume:'1098'      Page:'14'      DOI:'10.1016/j.chroma.2005.08.054'      Title:'Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill'
12.      Journal:'Journal of Chromatography A'      Year:'2001'      Volume:'917'      Page:'245'      DOI:''      Title:'On-site ?eld sampling and analysis of fragrance from living Lavender (Lavandula angustifolia L.) ?owers by solid-phase microextraction coupled to gas chromatography and ion-trap mass spectrometry'
150.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'5'      Page:'187'      DOI:''      Title:'Evaluation of the essential oil composition and antioxidant activity of Achillea eriophora as a medicinal plant'
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
178.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'262'      DOI:'10.1080/10412905.2004.9698716'      Title:'Comparative Investigation of the Essential Oils of Achillea talagonica Boiss. and A. millefolium, Chemical Composition and Immunological Studies'
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