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ScientificNameLabel
2-Methylbutylisovalerate
PHCD compound ID : 207
Chemical Names :
2-Methyl butyl isovalerate , 2-methylbutyl 3-methyl butyrate , 2-Methylbutyl isovalerate , 2-Methylbutylisovalerate , 2-Methyl butyl,3-methyl butyrate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: 2-methylbutyl 3-methylbutanoate , 3-methylbutanoic acid 2-methylbutyl ester , 3-methylbutyric acid 2-methylbutyl ester
Smiles: CC[C@@H](COC(=O)CC(C)C)C
InChi : InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChi Key : InChIKey=CYGPPWVXOWCHJB-VIFPVBQESA-N
PubChem ID : 62445
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.554467
Hydrogen bond donor count : 0 Electric dipole moment : 1.786
XLogP : 3.218 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.826000
Herb list :
Refrences & Litretures:
  
13.      Journal:'Natural Product Communications'      Year:'2009'      Volume:'4'      Page:'283'      DOI:''      Title:'Antibacterial Activity and Composition of the Essential Oil of Nepeta menthoides from Iran'
23.      Journal:'J. Essent. Oil Res'      Year:'2000'      Volume:'12'      Page:'333'      DOI:'10.1080/10412905.2000.9699530'      Title:'Essential Oil Composition of Eucalyptus camaldulensis Dehn. from Mozambique'
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
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'
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
648.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'841'      DOI:'10.1080/0972060X.2013.862078'      Title:'Essential Oil Composition of Some Wild Populations of Heracleum persicum Desf. Ex Fischer Growing in Iran'
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
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