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ScientificNameLabel
isoamyl,2-methyl-butyrate
PHCD compound ID : 1854
Chemical Names :
Butanoic acid,2-methyl-,3-methyl butyl ester , 3-Methylbutyl 2-methylbutanoate , 2-methyl-3-methylbutyl Butanoic acid ester , Isopentyl-2-methyl butanoate , isoamyl,2-methyl-butyrate , 3-Methylbutyl-2-methylbutyrate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: isopentyl 2-methylbutanoate , 2-methylbutanoic acid 3-methylbutyl ester , 3-methylbutyl 2-methylbutanoate , 2-methylbutyric acid isoamyl ester
Smiles: CC[C@@H](C(=O)OCCC(C)C)C
InChi : InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChi Key : InChIKey=VGIRHYHLQKDEPP-VIFPVBQESA-N
PubChem ID : 520326
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.474923
Hydrogen bond donor count : 0 Electric dipole moment : 1.865
XLogP : 3.214 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.760000
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'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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'
593.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'47'      Page:'1007'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Levisticum officinale GROWING WILD IN IRAN'
649.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'296'      DOI:'10.1080/10412905.2004.9698725'      Title:'Analysis of the Oil of Heracleum persicum L. (Seeds and Stems)'
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'
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