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ScientificNameLabel
decyl acetate
PHCD compound ID : 461
Chemical Names :
decyl acetate , Decyl-2-acetate , n-decyl acetate
Molecular Formula : C12H24O2
Molecular Weight : 200.17763
More Details :
Names & Synonyms: decyl acetate , acetic acid decyl ester , decyl ethanoate
Smiles: CCCCCCCCCCOC(=O)C
InChi : InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
InChi Key : InChIKey=NUPSHWCALHZGOV-UHFFFAOYSA-N
PubChem ID : 8167
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.818661
Hydrogen bond donor count : 0 Electric dipole moment : 2.253
XLogP : 5.005 VDW volume : 231.052269
Molecular weight : 200.17763 HOMO-LUMO gap : 11.963000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
430.      Journal:'Phytochemistry'      Year:'2002'      Volume:'61'      Page:'573'      DOI:''      Title:'Potential allelochemicals from the essential oil of Ruta graveolens'
723.      Journal:'Songklanakarin J. Sci. Technol'      Year:'2014'      Volume:'36'      Page:'83'      DOI:''      Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'
924.      Journal:'Phytochemistry 66 (2005) 1499'      Year:'2005'      Volume:'66'      Page:'1499'      DOI:'10.1016/j.phytochem.2005.04.025'      Title:'A chemical investigation by headspace SPME and GC–MS of volatile and semi-volatile terpenes in various olibanum samples'
925.      Journal:'Annali di Chimica'      Year:'2007'      Volume:'97'      Page:'837'      DOI:''      Title:'CHEMICAL COMPOSITION AND ANTIMICROBIAL ACTIVITY OF SOME OLEOGUM RESIN ESSENTIAL OILS FROM BOSWELLIA SPP. (BURSERACEAE)'
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