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ScientificNameLabel
Carvacrol acetate
PHCD compound ID : 837
Chemical Names :
Carvacrol acetate , carvacryl acetate , 2-methyl-5-(1-methylethyl)Phenol acetate
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms: (5-isopropyl-2-methyl-phenyl) acetate , acetic acid (2-methyl-5-propan-2-ylphenyl) ester , (2-methyl-5-propan-2-ylphenyl) acetate , (2-methyl-5-propan-2-yl-phenyl) ethanoate , acetic acid (5-isopropyl-2-methyl-phenyl) ester
Smiles: CC(=O)Oc1cc(ccc1C)C(C)C
InChi : InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3
InChi Key : InChIKey=OXZSUQJHKQOGOK-UHFFFAOYSA-N
PubChem ID : 80792
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.125113
Hydrogen bond donor count : 0 Electric dipole moment : 1.879
XLogP : 2.678 VDW volume : 199.886434
Molecular weight : 192.11503 HOMO-LUMO gap : 9.355000
Herb list :
Refrences & Litretures:
  
64.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'538'      DOI:'10.1080/0972060X.2014.935044'      Title:'Chemical Composition of the Essential Oil of Thymus vulgaris L. Grown in Iran'
67.      Journal:'Innovative Food Science and Emerging Technologies'      Year:'2012'      Volume:'14'      Page:'85'      DOI:'10.1016/j.ifset.2012.01.002'      Title:'Comparison of ohmic-assisted hydrodistillation with traditional hydrodistillation for the extraction of essential oils from Thymus vulgaris L'
81.      Journal:'Jundishapur J Microbiol'      Year:'2011'      Volume:'4'      Page:'S43'      DOI:''      Title:'Antibacterial activity of Zataria multiflora Boiss essential oil against extended spectrum ? lactamase produced by urinary isolates of Klebsiella pneumonia'
84.      Journal:'European Journal of Experimental Biology'      Year:'2014'      Volume:'4'      Page:'253'      DOI:''      Title:'Chemical composition and insecticidal activity of essential oil of Zataria multiflora Boiss. (Lamiaceae) against Ephestia kuehniella (Lepidoptera: Pyralidae)'
85.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1562'      DOI:'10.1016/j.fct.2010.03.025'      Title:'Chemical composition of essential oils in Zataria multi?ora Boiss. From different parts of Iran and their radical scavenging and antimicrobial activity'
87.      Journal:'Journal of Food Safety'      Year:'2012'      Volume:''      Page:'1'      DOI:'10.1111/j.1745-4565.2012.00384.x'      Title:'CHEMICAL COMPOSITION, RADICAL SCAVENGING, ANTIBACTERIAL AND ANTIFUNGAL ACTIVITIES OF ZATARIA MULTIFLORA BIOSS ESSENTIAL OIL AND AQUEOUS EXTRACT'
88.      Journal:'Animal Feed Science and Technology'      Year:'2012'      Volume:'172'      Page:'115'      DOI:'10.1016/j.anifeedsci.2011.11.011'      Title:'Effect of essential oils of Zataria multi?ora on in vitro rumen fermentation, protozoal population, growth and enzyme activity of anaerobic fungus isolated from Mehraban sheep'
91.      Journal:'Eur. J. Lipid Sci. Technol'      Year:'2008'      Volume:'110'      Page:'448'      DOI:'10.1002/ejlt.200700239'      Title:'Microwave-assisted hydrodistillation of essential oil from Zataria multiflora Boiss'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
674.      Journal:'Rev Bras Farmacogn'      Year:'2014'      Volume:'24'      Page:'25'      DOI:'10.1590/0102-695X2014241434'      Title:'Analysis of essential oils of Origanum vulgare from six production areas of China and Pakistan'
682.      Journal:'Food Science and Technology International'      Year:'2011'      Volume:'17'      Page:'505'      DOI:'10.1177/1082013211398803'      Title:'Chemical composition and antimicrobial effects of essential oils of Eucalyptus globulus, Myrtus communis and Satureja hortensis against Escherichia coli O157:H7 and Staphylococcus aureus in minced beef'
683.      Journal:'Journal of Chemical Health Risks'      Year:'2013'      Volume:'3'      Page:'43'      DOI:''      Title:'Chemical Composition of the Essential Oil from the Aerial Parts of Satureja hortensis As a Potent Medical Plant Using Traditional Hydrodistillation'
685.      Journal:'Food Chemistry'      Year:'2006'      Volume:'99'      Page:'19'      DOI:'10.1016/j.foodchem.2005.07.026'      Title:'In?uence of drying and extraction methods on yield and chemical composition of the essential oil of Satureja hortensis'
686.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'513'      DOI:'10.1080/0972060X.2014.901607'      Title:'Antioxidant Activities and Chemical Composition of Essential Oils from Satureja khuzestanica, Oliveria decumbens and Thymus daenensis'
778.      Journal:'Industrial Crops and Products'      Year:'2013'      Volume:'49'      Page:'97'      DOI:'10.1016/j.indcrop.2013.04.029'      Title:'Influence of storage conditions on the essential oil composition ofThymus daenensis Celak'
826.      Journal:'Jeobp'      Year:'2007'      Volume:'10'      Page:'314'      DOI:''      Title:'Essential Oil Composition of Chenopodium botrys L. from Iran'
914.      Journal:'Natural Product Research'      Year:'2011'      Volume:'25'      Page:'368'      DOI:'10.1080/14786411003774312'      Title:'Volatile oil constituents and antibacterial activity of different parts of Falcaria vulgaris Bernh. growing wild in two localities from Iran'
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