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ScientificNameLabel
3-methylbutanal
PHCD compound ID : 396
Chemical Names :
3-methylbutanal , 3-Methyl-butanal , Isovaleraldehyde
Molecular Formula : C5H10O1
Molecular Weight : 86.073165
More Details :
Names & Synonyms: 3-methylbutanal , 3-methylbutyraldehyde
Smiles: O=CCC(C)C
InChi : InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
InChi Key : InChIKey=YGHRJJRRZDOVPD-UHFFFAOYSA-N
PubChem ID : 11552
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.054535
Hydrogen bond donor count : 0 Electric dipole moment : 3.249
XLogP : 1.664 VDW volume : 101.19015
Molecular weight : 86.073165 HOMO-LUMO gap : 10.860000
Herb list :
Refrences & Litretures:
  
23.      Journal:'J. Essent. Oil Res'      Year:'2000'      Volume:'12'      Page:'333'      DOI:'10.1080/10412905.2000.9699530'      Title:'Essential Oil Composition of Eucalyptus camaldulensis Dehn. from Mozambique'
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'
143.      Journal:'Journal of Stored Products Research'      Year:'2012'      Volume:'48'      Page:'97'      DOI:'10.1016/j.jspr.2011.10.003'      Title:'Insecticidal activities of essential oils from leaves of Laurus nobilis L. from Tunisia, Algeria and Morocco, and comparative chemical composition'
144.      Journal:'Tunisian Journal of Plant Protection'      Year:'2011'      Volume:'6'      Page:'29'      DOI:''      Title:'Composition and Repellent Efficacy of Essential Oil from Laurus nobilis against Adults of the Cigarette Beetle Lasioderma serricorne (Coleoptera: Anobiidae)'
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'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
486.      Journal:'Journal of Essential Oil Research'      Year:'1994'      Volume:'6'      Page:'93'      DOI:'10.1080/10412905.1994.9698335'      Title:'Volatiles of Common Horsechestnut (Aesculus hippocastanum L.) (Hippocastanaceae) Blossoms'
587.      Journal:'Leffingwell Reports'      Year:'2015'      Volume:'7'      Page:'1'      DOI:''      Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
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)'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
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