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ScientificNameLabel
2-ethylhexanoic acid
PHCD compound ID : 2525
Chemical Names :
2-ethylhexanoic acid , hexanoic acid, 2-ethyl- , Alpha-Ethylcaproic acid
Molecular Formula : C8H16O2
Molecular Weight : 144.11503
More Details :
Names & Synonyms: 2-ethylhexanoic acid
Smiles: CCCC[C@H](C(=O)O)CC
InChi : InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
InChi Key : InChIKey=OBETXYAYXDNJHR-SSDOTTSWSA-N
PubChem ID : 8697
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.910164
Hydrogen bond donor count : 1 Electric dipole moment : 1.853
XLogP : 2.742 VDW volume : 161.86833
Molecular weight : 144.11503 HOMO-LUMO gap : 11.953000
Herb list :
Refrences & Litretures:
  
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
635.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'566'      Page:'172'      DOI:'10.1016/j.aca.2006.03.014'      Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'
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