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ScientificNameLabel
2-methylbutanal
PHCD compound ID : 585
Chemical Names :
2-Methyl-butanal , 2-Methyl-2-butanal , 2-Methyl butanal , 2-methylbutanal
Molecular Formula : C5H10O1
Molecular Weight : 86.073165
More Details :
Names & Synonyms: 2-methylbutanal , 2-methylbutyraldehyde
Smiles: C[C@@H](C=O)CC
InChi : InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1
InChi Key : InChIKey=BYGQBDHUGHBGMD-RXMQYKEDSA-N
PubChem ID : 7284
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.990892
Hydrogen bond donor count : 0 Electric dipole moment : 3.132
XLogP : 1.449 VDW volume : 101.19015
Molecular weight : 86.073165 HOMO-LUMO gap : 10.752000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
72.      Journal:'Industrial Crops and Products'      Year:'2006'      Volume:'24'      Page:'253'      DOI:'10.1016/j.indcrop.2006.06.011'      Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
155.      Journal:'EJEAFChe'      Year:'2012'      Volume:'11'      Page:'493'      DOI:''      Title:'CHEMICAL COMPOSITION OF ESSENTIAL OIL OF ARTEMISIA VULGARIS FROM WEST AZERBAIJAN, IRAN'
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'
317.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8310'      DOI:'10.1021/jf0580869'      Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
352.      Journal:'Food Control'      Year:'2006'      Volume:'17'      Page:'745'      DOI:'10.1016/j.foodcont.2005.03.010'      Title:'Chemical constituents, antifungal and antioxidative potential of Foeniculum vulgare volatile oil and its acetone extract'
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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