Cas no 4623-71-6 (1,3-Benzenedicarboxylic acid, dihexyl ester)
4623-71-6 structure
Product Name:1,3-Benzenedicarboxylic acid, dihexyl ester
CAS No:4623-71-6
MF:C20H30O4
MW:334.449806690216
CID:323892
PubChem ID:525126
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, dihexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, dihexyl ester
- dihexyl benzene-1,3-dicarboxylate
- Dihexyl isophthalate
- FGWAPOKSKMNBEN-UHFFFAOYSA-N
- Isophthalic acid, dihexyl ester
- DTXSID10335416
- 4623-71-6
- SCHEMBL2375060
-
- Inchi： 1S/C20H30O4/c1-3-5-7-9-14-23-19(21)17-12-11-13-18(16-17)20(22)24-15-10-8-6-4-2/h11-13,16H,3-10,14-15H2,1-2H3
- InChI Key： FGWAPOKSKMNBEN-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)C(=O)OCCCCCC)=O)CCCCCC
Computed Properties
- Exact Mass: 334.2145
- Monoisotopic Mass: 334.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 322
- 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
- XLogP3: 7.7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.012
- Boiling Point: 383°C at 760 mmHg
- Flash Point: 203.4°C
- Refractive Index: 1.493
- PSA: 52.6
1,3-Benzenedicarboxylic acid, dihexyl ester Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
4623-71-6 (1,3-Benzenedicarboxylic acid, dihexyl ester) Related Products
- 136-60-7(Butyl benzoate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 1962-75-0(1,4-dibutyl benzene-1,4-dicarboxylate)
- 3126-90-7(Dibutyl isophthalate)
- 6422-86-2(Dioctyl Terepthalate)
- 94-46-2(Isopentyl benzoate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 94-50-8(Octyl benzoate)
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