Cas no 1528-64-9 (1,3-Benzenedicarboxylicacid, 1,3-bis(2-methylpropyl) ester)
1528-64-9 structure
Product Name:1,3-Benzenedicarboxylicacid, 1,3-bis(2-methylpropyl) ester
1,3-Benzenedicarboxylicacid, 1,3-bis(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 1,3-bis(2-methylpropyl) ester
- bis(2-methylpropyl) benzene-1,3-dicarboxylate
- Isophthalic acid diisobutyl ester
- 1,3-Benzenedicarboxylic acid, bis(2-Methylpropyl) ester
- 1528-64-9
- Bis(2-methylpropyl)benzene-1,3-dicarboxylate
- BRN 2621241
- DTXSID80165126
- Diisobutyl isophthalate
- ISOPHTHALIC ACID, DIISOBUTYL ESTER
- SCHEMBL109308
- di-(2-Methylpropyl) isophthalate
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- Inchi: 1S/C16H22O4/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
- InChI Key: LKUXNJPSPNDDLI-UHFFFAOYSA-N
- SMILES: O(C(C1C=CC=C(C(=O)OCC(C)C)C=1)=O)CC(C)C
Computed Properties
- Exact Mass: 278.15186
- Monoisotopic Mass: 278.151809
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 4.3
Experimental Properties
- Density: 1.05
- Boiling Point: 300.1°C at 760 mmHg
- Flash Point: 156.6°C
- Refractive Index: 1.496
- PSA: 52.6
1,3-Benzenedicarboxylicacid, 1,3-bis(2-methylpropyl) ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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