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ScientificNameLabel
Diisooctyl phthalate
PHCD compound ID : 2477
Chemical Names :
1,2-Benzenedicarboxylic acid,diisooctyl ester , 1,2-Benzenedicarboxylic acid-diisooctyl ester , Diisooctyl phthalate
Molecular Formula : C24H38O4
Molecular Weight : 390.27701
More Details :
Names & Synonyms: bis(6-methylheptyl) benzene-1,2-dicarboxylate , benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester
Smiles: CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C
InChi : InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
InChi Key : InChIKey=IJFPVINAQGWBRJ-UHFFFAOYSA-N
PubChem ID : 33934
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.347740
Hydrogen bond donor count : 0 Electric dipole moment : 2.512
XLogP : 8.076 VDW volume : 422.382244
Molecular weight : 390.27701 HOMO-LUMO gap : 9.498000
Herb list :
Refrences & Litretures:
  
285.      Journal:'Journal of Herbal Drugs'      Year:'2013'      Volume:'4'      Page:'137'      DOI:''      Title:'Phytochemical of essential oil of Stachys lavandulifolia Vahl. collected from a natural habitat in western Isfahan, Iran'
318.      Journal:'International Journal of Biological & Pharmaceutical Research'      Year:'2013'      Volume:'4'      Page:'523'      DOI:''      Title:'DETERMINATION OF BIOLOGICALLY ACTIVE CONSTITUENTS OF THE FRUITS OF CUCUMIS SATIVUS LINN. USING GC- MS ANALYSIS'
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
447.      Journal:'Asian J Pharm Clin Res'      Year:'2012'      Volume:'2'      Page:'90'      DOI:'10.4103/0974-8490.147223'      Title:'GC-MS ANALYSIS OF CASSIA ITALICA LEAF METHANOL EXTRACT'
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