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ScientificNameLabel
Isoamyl propionate
PHCD compound ID : 2819
Chemical Names :
Isoamyl propionate , 3-methyl butyl propanoate , iso-Amylpropionate
Molecular Formula : C8H16O2
Molecular Weight : 144.11503
More Details :
Names & Synonyms: isopentyl propanoate , propanoic acid 3-methylbutyl ester , 3-methylbutyl propanoate , propionic acid isoamyl ester
Smiles: CCC(=O)OCCC(C)C
InChi : InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
InChi Key : InChIKey=XAOGXQMKWQFZEM-UHFFFAOYSA-N
PubChem ID : 7772
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.668304
Hydrogen bond donor count : 0 Electric dipole moment : 1.880
XLogP : 2.352 VDW volume : 161.86833
Molecular weight : 144.11503 HOMO-LUMO gap : 11.910000
Herb list :
Refrences & Litretures:
  
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'
342.      Journal:'Sci. Pharm'      Year:'2006'      Volume:'74'      Page:'189'      DOI:'10.3797/scipharm.2006.74.189'      Title:'Antimicrobial testings, gas chromatographic analysis and olfactory evaluation of an essential oil of hop cones (Humulus lupulus L.) from Bavaria and some of its main compounds'
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'
687.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2012'      Volume:'11'      Page:'1219'      DOI:''      Title:'Hepatoprotective and Hypolipidemic Effects of Satureja Khuzestanica Essential Oil in Alloxan-induced Type 1 Diabetic Rats'
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