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ScientificNameLabel
Octhyl phthalate
PHCD compound ID : 1353
Chemical Names :
Octhyl phthalate , 1,2 Benzenedicarboxylic acid, dioctyl ester , di-n-Octyl phthalate
Molecular Formula : C24H38O4
Molecular Weight : 390.27701
More Details :
Names & Synonyms: dioctyl benzene-1,2-dicarboxylate , benzene-1,2-dicarboxylic acid dioctyl ester
Smiles: CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
InChi : InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChi Key : InChIKey=MQIUGAXCHLFZKX-UHFFFAOYSA-N
PubChem ID : 8346
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.351197
Hydrogen bond donor count : 0 Electric dipole moment : 3.310
XLogP : 8.198 VDW volume : 422.382244
Molecular weight : 390.27701 HOMO-LUMO gap : 9.554000
Herb list :
Refrences & Litretures:
  
145.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'645'      DOI:'10.1080/0972060X.2012.10644099'      Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
351.      Journal:'Food Chemistry'      Year:'2005'      Volume:'92'      Page:'143'      DOI:'10.1016'      Title:'Extraction of fennel (Foeniculum vulgare Mill.) seeds with supercritical CO2: Comparison with hydrodistillation'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
633.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2011'      Volume:'1'      Page:'19'      DOI:'10.1080/22311866.2011.10719069'      Title:'Chemical Composition and Antimicrobial Activity of Rosa damascena Mill Essential Oil'
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