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ScientificNameLabel
myrtenalacetate
PHCD compound ID : 372
Chemical Names :
Myrtenyl acetate , (E)-Mirtanyl acetate , myrtenalacetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl acetate , acetic acid (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl ester , (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl ethanoate
Smiles: CC(=O)OCC1=CC[C@@H]2C[C@H]1C2(C)C
InChi : InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m1/s1
InChi Key : InChIKey=BKATZVAUANSCKN-GHMZBOCLSA-N
PubChem ID : 61262
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.310653
Hydrogen bond donor count : 0 Electric dipole moment : 1.706
XLogP : 3.036 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.191000
Herb list :
Refrences & Litretures:
  
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'
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
72.      Journal:'Industrial Crops and Products'      Year:'2006'      Volume:'24'      Page:'253'      DOI:'10.1016/j.indcrop.2006.06.011'      Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
450.      Journal:'Journal of Chromatography A'      Year:'2008'      Volume:'1180'      Page:'159'      DOI:'10.1016/j.chroma.2007.12.011'      Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
457.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1469'      DOI:'10.1016/j.foodchem.2011.05.117'      Title:'Chemical composition, antimicrobial potential against cariogenic bacteria and cytotoxic activity of Tunisian Nigella sativa essential oil and thymoquinone'
620.      Journal:'J Food Sci Technol'      Year:'2015'      Volume:'52'      Page:'2452'      DOI:'10.1007/s13197-014-1286-x'      Title:'Comparison of essential oil composition and antimicrobial activity of Coriandrum sativum L. extracted by hydrodistillation and microwave-assisted hydrodistillation'
699.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2014'      Volume:'11'      Page:'571'      DOI:'10.1002/cbdv.201300153'      Title:'Myrtus communis Essential Oil: Chemical Composition and Antimicrobial Activities against Food Spoilage Pathogens'
701.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'2759'      DOI:'10.3390/molecules15042759'      Title:'Essential Oil of Myrtus communis L. as a Potential Antioxidant and Antimutagenic Agents'
807.      Journal:'Journal of Essential Oil Research'      Year:'2012'      Volume:'24'      Page:'513'      DOI:'10.1080/10412905.2012.728093'      Title:'Essential oil and aroma composition of leaves, stalks and roots of celery (Apium graveolens var. dulce) from Tunisia'
897.      Journal:'Journal of Medicinal Plants and By-products'      Year:'2016'      Volume:'2'      Page:'159'      DOI:''      Title:'Essential Oils of Salvia hydrangea DC. ex Benth. from Kiasar-Hezarjarib regions, Iran-Impact of eEnvironmental Factors as Quality Determinants'
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