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ScientificNameLabel
2-Methylbutyl acetate
PHCD compound ID : 2270
Chemical Names :
2-Methylbutyl acetate , 2-methyl butyl acetate , 2-Methylbutyl-acetate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: 2-methylbutyl acetate , acetic acid 2-methylbutyl ester , 2-methylbutyl ethanoate
Smiles: CC[C@H](COC(=O)C)C
InChi : InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3/t6-/m1/s1
InChi Key : InChIKey=XHIUFYZDQBSEMF-ZCFIWIBFSA-N
PubChem ID : 12209
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.798022
Hydrogen bond donor count : 0 Electric dipole moment : 2.052
XLogP : 1.888 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.976000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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'
464.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'7198'      DOI:'J. Agric. Food Chem'      Title:'Developmental and Varietal Differences in Volatile Ester Formation and Acetyl-CoA: Alcohol Acetyl Transferase Activities in Apple (Malus domestica Borkh.) Fruit'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
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