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ScientificNameLabel
Butanol
PHCD compound ID : 660
Chemical Names :
1-butanol , Butanol , n-butanol , Butan-1-ol
Molecular Formula : C4H10O1
Molecular Weight : 74.073165
More Details :
Names & Synonyms: butan-1-ol , 1-butanol
Smiles: CCCCO
InChi : InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChi Key : InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N
PubChem ID : 263
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.580223
Hydrogen bond donor count : 1 Electric dipole moment : 2.092
XLogP : 0.851 VDW volume : 86.530624
Molecular weight : 74.073165 HOMO-LUMO gap : 13.465000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
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'
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
288.      Journal:'Food Chemistry'      Year:'2011'      Volume:'125'      Page:'193'      DOI:'10.1016/j.foodchem.2010.08.060'      Title:'Antioxidant constituents from Lawsonia inermis leaves: Isolation, structure elucidation and antioxidative capacity'
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'
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'
400.      Journal:'LWT - Food Science and Technology'      Year:'2008'      Volume:'41'      Page:'2017'      DOI:'10.1016/j.lwt.2007.12.002'      Title:'Volatile compounds in uninoculated and inoculated table olives with Lactobacillus plantarum (Olea europaea L., cv. Moresca and Kalamata)'
401.      Journal:'Food Chemistry'      Year:'2008'      Volume:'107'      Page:'1522'      DOI:'org/10.1016/j.foodchem.2007.10.008'      Title:'Volatile compounds in table olives (Olea EuropaeaL., Nocellara del Belice cultivar)'
463.      Journal:'J. Agric. Food Chem'      Year:'2007'      Volume:'55'      Page:'6087'      DOI:'10.1021/jf070464h'      Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'
725.      Journal:'International Journal of Research in Pharmaceutical and Biomedical Sciences'      Year:'2012'      Volume:'3'      Page:'620'      DOI:''      Title:'Phytochemical Screening and Antioxidant Activity of Flowers (inflorescence) of Saccharum Officinarum Linn'
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
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