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ScientificNameLabel
2-methylbutyric acid
PHCD compound ID : 671
Chemical Names :
2-methylbutanoic(isovaleric)acid , 2-Methylbutanoic acid , 2-Methyl butanoic acid , 2- and 3-Methyl butanoic acid , 2-methylbutyric acid
Molecular Formula : C5H10O2
Molecular Weight : 102.06808
More Details :
Names & Synonyms: 2-methylbutanoic acid , 2-methylbutyric acid
Smiles: C[C@H](C(=O)O)CC
InChi : InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1
InChi Key : InChIKey=WLAMNBDJUVNPJU-BYPYZUCNSA-N
PubChem ID : 8314
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.947211
Hydrogen bond donor count : 1 Electric dipole moment : 1.861
XLogP : 1.035 VDW volume : 109.980377
Molecular weight : 102.06808 HOMO-LUMO gap : 11.955000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
263.      Journal:'Z Lebensm Unters Forsch A'      Year:'1997'      Volume:'205'      Page:'218'      DOI:''      Title:'Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
544.      Journal:'International Journal of Food Properties'      Year:'2013'      Volume:'16'      Page:'18'      DOI:'10.1080/10942912.2010.513616'      Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
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