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ScientificNameLabel
Acetophenone
PHCD compound ID : 960
Chemical Names :
Acetophenone , Ethanone 1-phenyl , Ethanone,1-phenyl , Phenylmethyl ketone
Molecular Formula : C8H8O1
Molecular Weight : 120.057515
More Details :
Names & Synonyms: 1-phenylethanone , acetophenone
Smiles: CC(=O)c1ccccc1
InChi : InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChi Key : InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
PubChem ID : 7410
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.093444
Hydrogen bond donor count : 0 Electric dipole moment : 3.182
XLogP : 1.244 VDW volume : 121.912269
Molecular weight : 120.057515 HOMO-LUMO gap : 9.512000
Herb list :
 
Cacao tree - Theobroma cacao - کاکائو
Clove - Eugenia caryophyllata - میخک هندی، میخک
Elecampane, Inula - Inula helenium - زنجبیل شامی، مصفا
Foxglove - Digitalis nervosa Steud & Hochst - گل انگشتانه
Globe thistle - Echinops ritro - شکرتیغال
Great mullein, Flannel mullein - Verbascum thapsus - گل ماهور اروپائی
Quince, Apple quince - Cydonia oblonga - به، شال به، به جنگلی
Rhubarb - Rheum ribes - ریواس، ریوند
Saatar, Zataria - Zataria multiflora - آویشن شیرازی، ازکند
Strawberry - Fragaria vesca - توت فرنگی
Tamarind, Indian date - Tamarindus indica - تمرهندی
Tea - Camellia sinensis - چای
Violet - Viola odorata - بنفشه معطر، بنفشه
Wormwood - Artemisia sieberi - درمنه
Ziziphora - Ziziphora tenuior - کاکوتی
Refrences & Litretures:
  
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'
161.      Journal:'Archives of Applied Science Research'      Year:'2011'      Volume:'3'      Page:'44'      DOI:''      Title:'Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata L. flowers'
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
328.      Journal:'Journal of Agricultural Science and Technology A'      Year:'2012'      Volume:'2'      Page:'392'      DOI:''      Title:'Comparison of Essential Oils in Aerial Parts of Artemisia Sieberi from Kashan Province of Iran'
366.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1108'      DOI:'10.1080/0972060X.2014.884763'      Title:'Screening of the Essential Oil, Hexane Extract, Chemical Composition, Antioxidant Activity, andAntimicrobial Acitivity of the Flower Rheum ribes L. from Iran'
367.      Journal:'J Pharm Health Sci'      Year:'2014'      Volume:'2'      Page:'115'      DOI:''      Title:'Screening of Flowers Essential Oil and Hexane Extract of Rheum ribes L. from Iran- Chemical Composition, Antioxidant and Antimicrobial Activities'
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
503.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'3'      Page:'242'      DOI:'10.1080/10412905.2006.9699076'      Title:'Essential Oil Composition of two Greek Echinops species: E. graecus Miller and E. ritro L'
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
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'
704.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2015'      Volume:'5'      Page:'1'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Eugenia caryophyllata Cloves Extracted by Conventional and Microwave Techniques'
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
839.      Journal:'Russian Chemical Bulletin, International Edition'      Year:'2016'      Volume:'65'      Page:'1148'      DOI:'10.1007/s11172-016-1428-6'      Title:'The volatile constituent analysis of Digitalis nervosa Steud. & Hochst. ex Benth. from Iran'
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