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ScientificNameLabel
Di(2-ethyl hexyl)phthalate
PHCD compound ID : 1352
Chemical Names :
Di(2-ethyl hexyl)phthalate , 1,2-Benzendicarboxylic acid bis(2-ethyl hexyl)ester , bis(2-ethylhexyl)phthalate , Bis(2-ethylhexyl) phthalate
Molecular Formula : C24H38O4
Molecular Weight : 390.27701
More Details :
Names & Synonyms: bis(2-ethylhexyl) benzene-1,2-dicarboxylate , benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester
Smiles: CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC
InChi : InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20-/m1/s1
InChi Key : InChIKey=BJQHLKABXJIVAM-WOJBJXKFSA-N
PubChem ID : 8343
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.324022
Hydrogen bond donor count : 0 Electric dipole moment : 3.539
XLogP : 7.654 VDW volume : 422.382244
Molecular weight : 390.27701 HOMO-LUMO gap : 9.537000
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.)'
193.      Journal:'Journal of Chinese Pharmaceutical Sciences'      Year:'2007'      Volume:'16'      Page:'288'      DOI:'1003–1057(2007)4–288–06'      Title:'Chemical constituents of the flower buds of Tussilago farfara'
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'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
366.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1108'      DOI:'10.1080/0972060X.2014.884763'      Title:'Screening of the Essential Oil, Hexane Extract, Chemical Composition, Antioxidant Activity, andAntimicrobial Acitivity of the Flower Rheum ribes L. from Iran'
367.      Journal:'J Pharm Health Sci'      Year:'2014'      Volume:'2'      Page:'115'      DOI:''      Title:'Screening of Flowers Essential Oil and Hexane Extract of Rheum ribes L. from Iran- Chemical Composition, Antioxidant and Antimicrobial Activities'
644.      Journal:'Int. J. Biosci'      Year:'2015'      Volume:'6'      Page:'156'      DOI:''      Title:'Essential oil constituents and fatty acids in Echium amoenum grown wild in Iran'
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
839.      Journal:'Russian Chemical Bulletin, International Edition'      Year:'2016'      Volume:'65'      Page:'1148'      DOI:'10.1007/s11172-016-1428-6'      Title:'The volatile constituent analysis of Digitalis nervosa Steud. & Hochst. ex Benth. from Iran'
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