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ScientificNameLabel
isobutylphtalate
PHCD compound ID : 253
Chemical Names :
Diisobutyl phthalate , 1,2-Benzenedicarboxylic acid bis(2-methyl propyl)ester , isobutyl phthalate , isobutylphtalate , 1,2-Benzenedicarboxylic acid,bis(2-methylpropyl)ester , diisobutyl Phthalic acid ester , 1,2-benzenedicarboxylic acid,bis(2-methyl propyl)
Molecular Formula : C16H22O4
Molecular Weight : 278.151809
More Details :
Names & Synonyms: diisobutyl benzene-1,2-dicarboxylate , benzene-1,2-dicarboxylic acid bis(2-methylpropyl) ester , bis(2-methylpropyl) benzene-1,2-dicarboxylate , benzene-1,2-dicarboxylic acid diisobutyl ester
Smiles: CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C
InChi : InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChi Key : InChIKey=MGWAVDBGNNKXQV-UHFFFAOYSA-N
PubChem ID : 6782
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.347621
Hydrogen bond donor count : 0 Electric dipole moment : 2.832
XLogP : 3.102 VDW volume : 284.014367
Molecular weight : 278.151809 HOMO-LUMO gap : 9.509000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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.)'
229.      Journal:'Res. J. Agric. Environ. Manage'      Year:'2014'      Volume:'3'      Page:'263'      DOI:''      Title:'Comparative Study on the Essential Oil of Stachys inflata Benth from Protected and Non-protected Area'
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
281.      Journal:'J. Bio. Env. Sci'      Year:'2016'      Volume:'8'      Page:'240'      DOI:''      Title:'Essential oil variation within and between Stachys inflata Benth. and Stachys lavandulifolia Vahl. populations from Iran'
284.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2015'      Volume:'7'      Page:'673'      DOI:''      Title:'Chemical Composition of Essential Oil of Stachys lavandulifolia Vahl. From Iran'
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'
300.      Journal:'Natural Product Research'      Year:'2010'      Volume:'24'      Page:'1704'      DOI:'10.1080/14786410902884933'      Title:'Phytochemical analysis and allelopathic activity of essential oils of Ecballium elaterium A. Richard growing in Iran'
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'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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'
763.      Journal:'Journal of Medicinal Plants'      Year:'2014'      Volume:'13'      Page:'87'      DOI:''      Title:'Determination of Volatile Oil Constituents in Root and Shoot of Moringa peregrina (Forssk.) Fiori in Saline Soil'
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