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ScientificNameLabel
Dihydrocitronellol acetate
PHCD compound ID : 1115
Chemical Names :
Dihydro citronellol acetate , Dihydrocitronellol acetate
Molecular Formula : C12H24O2
Molecular Weight : 200.17763
More Details :
Names & Synonyms: 3,7-dimethyloctyl acetate , acetic acid 3,7-dimethyloctyl ester , 3,7-dimethyloctyl ethanoate
Smiles: C[C@@H](CCOC(=O)C)CCCC(C)C
InChi : InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChi Key : InChIKey=XFPXWDJICXBWRU-LLVKDONJSA-N
PubChem ID : 30249
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.787591
Hydrogen bond donor count : 0 Electric dipole moment : 2.068
XLogP : 4.883 VDW volume : 231.052269
Molecular weight : 200.17763 HOMO-LUMO gap : 11.972000
Herb list :
Refrences & Litretures:
  
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
116.      Journal:'EXCLI Journal'      Year:'2014'      Volume:'13'      Page:'772'      DOI:''      Title:'CHEMICAL COMPOSITION AND ANTIMICROBIAL ACTIVITY OF THE ESSENTIAL OIL FROM LEAVES OF ALGERIAN MELISSA OFFICINALIS L'
919.      Journal:'EXCLI Journal'      Year:'2014'      Volume:'13'      Page:'772'      DOI:''      Title:'Chemical composition and antimicrobial activity of the essential oil from leaves of Algerian Melissa officinalis L'
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