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ScientificNameLabel
methional
PHCD compound ID : 2111
Chemical Names :
methional , 3-Methylthio propanal , 3-(methylthio)propionaldehyde , 3-(methylthio)-propanal
Molecular Formula : C4H8O1S1
Molecular Weight : 104.029586
More Details :
Names & Synonyms: 3-methylsulfanylpropanal , 3-(methylthio)propanal , 3-(methylthio)propionaldehyde
Smiles: CSCCC=O
InChi : InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChi Key : InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N
PubChem ID : 18635
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.571445
Hydrogen bond donor count : 0 Electric dipole moment : 1.014
XLogP : 1.2 VDW volume : 102.403189
Molecular weight : 104.029586 HOMO-LUMO gap : 8.659000
Herb list :
Refrences & Litretures:
  
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
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'
544.      Journal:'International Journal of Food Properties'      Year:'2013'      Volume:'16'      Page:'18'      DOI:'10.1080/10942912.2010.513616'      Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
553.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'5226'      DOI:'10.1021/jf400807w'      Title:'Sensomics Analysis of Key Hazelnut Odorants (Corylus avellana L.‘Tonda Gentile’) Using Comprehensive Two-Dimensional Gas Chromatography in Combination with Time-of-Flight Mass Spectrometry (GC×GC-TOF-MS)'
589.      Journal:'Food Chemistry'      Year:'2004'      Volume:'84'      Page:'367'      DOI:'10.1016/S0308-8146(03)00241-3'      Title:'Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds)'
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