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ScientificNameLabel
Ethyl 2-methylbutyrate
PHCD compound ID : 1852
Chemical Names :
Ethyl 2-methylbutyrate , 2-Butanic acid methyl-ethyl ester , Ethyl 2-methylbutanoate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: ethyl 2-methylbutanoate , 2-methylbutanoic acid ethyl ester , 2-methylbutyric acid ethyl ester
Smiles: CCOC(=O)[C@@H](CC)C
InChi : InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3/t6-/m1/s1
InChi Key : InChIKey=HCRBXQFHJMCTLF-ZCFIWIBFSA-N
PubChem ID : 24020
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.539532
Hydrogen bond donor count : 0 Electric dipole moment : 1.988
XLogP : 1.779 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.790000
Herb list :
Refrences & Litretures:
  
219.      Journal:'Intl J Agri Crop Sci'      Year:'2013'      Volume:'5'      Page:'1946'      DOI:''      Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
463.      Journal:'J. Agric. Food Chem'      Year:'2007'      Volume:'55'      Page:'6087'      DOI:'10.1021/jf070464h'      Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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