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ScientificNameLabel
Carvyl-acetate-Z
PHCD compound ID : 326
Chemical Names :
cis-carvyl acetate , cis-Carvylacetate , Carvyl-acetate-Z
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1R,5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] acetate , acetic acid [(1R,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl] ester , [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate , [(1R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] ethanoate , acetic acid [(1R,5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] ester
Smiles: CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C
InChi : InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12-/m1/s1
InChi Key : InChIKey=YTHRBOFHFYZBRJ-VXGBXAGGSA-N
PubChem ID : 102024
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.458236
Hydrogen bond donor count : 0 Electric dipole moment : 1.601
XLogP : 2.439 VDW volume : 213.422893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.328000
Herb list :
Refrences & Litretures:
  
19.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'87'      DOI:''      Title:'Chemical Composition of the Essential Oil of Artemisia absinthium L. from Cuba'
22.      Journal:'Z Lebensm Unters Forsch A'      Year:'1999'      Volume:'208'      Page:'212'      DOI:''      Title:'Effect of extraction techniques on the chemical composition and antioxidant activity of Eucalyptus camaldulensis var. brevirostris leaf oils'
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'
181.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'165'      DOI:'10.1002/ffj.1074'      Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
492.      Journal:'Herba Polonica'      Year:'2009'      Volume:'55'      Page:'53'      DOI:''      Title:'Volatile oil constituents of alecost [Tanacetum balsamita L. ssp. balsamitoides (Schultz-Bip.)] growing wild in North-West of Iran'
495.      Journal:'Journal of Essential Oil Research'      Year:'2002'      Volume:'14'      Page:'1'      DOI:'10.1080/10412905.2002.9699741'      Title:'Composition of the Essential Oil of Tanacetum balsamita L. ssp. balsamitoides (Schultz Bip.) Grierson from Iran'
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
716.      Journal:'Int. J. Electrochem. Sci'      Year:'2011'      Volume:'6'      Page:'691'      DOI:''      Title:'Chemical Composition and Inhibitory Effect of Mentha Spicata Essential Oil on the Corrosion of Steel in Molar Hydrochloric Acid'
717.      Journal:'Parasitol Res'      Year:'2012'      Volume:'110'      Page:'2023'      DOI:'10.1007/s00436-011-2731-7'      Title:'Chemical composition and larvicidal activity of essential oil from Mentha spicata (Linn.) against three mosquito species'
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