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ScientificNameLabel
Butyl acetate
PHCD compound ID : 1505
Chemical Names :
Butyl acetate
Molecular Formula : C6H12O2
Molecular Weight : 116.08373
More Details :
Names & Synonyms: butyl acetate , acetic acid butyl ester , butyl ethanoate
Smiles: CCCCOC(=O)C
InChi : InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChi Key : InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N
PubChem ID : 31272
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.847794
Hydrogen bond donor count : 0 Electric dipole moment : 2.260
XLogP : 1.591 VDW volume : 127.276361
Molecular weight : 116.08373 HOMO-LUMO gap : 11.994000
Herb list :
Refrences & Litretures:
  
162.      Journal:'Phytochemistry'      Year:'1992'      Volume:'31'      Page:'571'      DOI:''      Title:'VOLATILE COMPONENTS OF VIOLET LEAVES'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
263.      Journal:'Z Lebensm Unters Forsch A'      Year:'1997'      Volume:'205'      Page:'218'      DOI:''      Title:'Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds'
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'
464.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'7198'      DOI:'J. Agric. Food Chem'      Title:'Developmental and Varietal Differences in Volatile Ester Formation and Acetyl-CoA: Alcohol Acetyl Transferase Activities in Apple (Malus domestica Borkh.) Fruit'
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'
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
794.      Journal:'J Food Biochem'      Year:'2019'      Volume:'43'      Page:'e12782'      DOI:'10.1111/jfbc.12782'      Title:'Antioxidant activity of Anethum graveolens L. essential oil constituents and their chemical analogues'
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