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ScientificNameLabel
2-Octanol,acetate
PHCD compound ID : 1841
Chemical Names :
2-Octanol,acetate , 2-Octanol acetate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: 1-methylheptyl acetate , acetic acid octan-2-yl ester , octan-2-yl acetate , octan-2-yl ethanoate , acetic acid 1-methylheptyl ester
Smiles: CCCCCC[C@@H](OC(=O)C)C
InChi : InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3/t9-/m0/s1
InChi Key : InChIKey=SJFUDWKNZGXSLV-VIFPVBQESA-N
PubChem ID : 97987
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.705850
Hydrogen bond donor count : 0 Electric dipole moment : 2.156
XLogP : 3.758 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.939000
Herb list :
Refrences & Litretures:
  
216.      Journal:'J. BioSci. Biotechnol'      Year:'2015'      Volume:'4'      Page:'117'      DOI:''      Title:'Identification of the essential oils composition from four ecotypes of Mentha longifolia (L.) Huds. growing wild in Isfahan province, Iran'
426.      Journal:'Jordan Journal of Biological Sciences'      Year:'2015'      Volume:'8'      Page:'139'      DOI:''      Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
427.      Journal:'Food Chemistry'      Year:'2013'      Volume:'141'      Page:'253'      DOI:'10.1016/j.foodchem.2013.03.007'      Title:'Chemical composition and antimicrobial activity of the essential oils from four Ruta species growing in Algeria'
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