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ScientificNameLabel
3-Octyl acetate
PHCD compound ID : 1840
Chemical Names :
3-Octanol,acetate , 3-Octanol acetate , 3-Octyl acetate , Octan-3-ol acetate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: 1-ethylhexyl acetate , acetic acid octan-3-yl ester , octan-3-yl acetate , octan-3-yl ethanoate , acetic acid 1-ethylhexyl ester
Smiles: CCCCC[C@H](OC(=O)C)CC
InChi : InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3/t10-/m1/s1
InChi Key : InChIKey=STZUZYMKSMSTOU-SNVBAGLBSA-N
PubChem ID : 521238
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.679294
Hydrogen bond donor count : 0 Electric dipole moment : 2.053
XLogP : 3.547 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.916000
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'
218.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'430'      DOI:'10.1080/10412905.2013.829005'      Title:'Chemical diversity in essential oil composition of Mentha longifolia (L.) Hudson subsp. typhoides (Briq.) Harley var. typhoides from Turkey'
219.      Journal:'Intl J Agri Crop Sci'      Year:'2013'      Volume:'5'      Page:'1946'      DOI:''      Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
222.      Journal:'Journal of Herbal Drugs'      Year:'2014'      Volume:'5'      Page:'33'      DOI:''      Title:'Essential oil composition of Pennyroyal (Mentha pulegium L.) from Southern Iran'
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
716.      Journal:'Int. J. Electrochem. Sci'      Year:'2011'      Volume:'6'      Page:'691'      DOI:''      Title:'Chemical Composition and Inhibitory Effect of Mentha Spicata Essential Oil on the Corrosion of Steel in Molar Hydrochloric Acid'
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