Cas no 53164-47-9 (bis(4-methylphenyl) but-2-enedioate)
53164-47-9 structure
Product Name:bis(4-methylphenyl) but-2-enedioate
CAS No:53164-47-9
MF:C18H16O4
MW:296.317245483398
CID:938031
PubChem ID:5965680
Update Time:2025-04-19
bis(4-methylphenyl) but-2-enedioate Chemical and Physical Properties
Names and Identifiers
-
- bis(4-methylphenyl) but-2-enedioate
- DI-N-PENTYL FUMARATE; DI-N-AMYLFUMARATE; Fumarsaeure-di-p-tolylester; (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione; fumaric acid di-p-tolyl ester; Dipentyl (2E)-2-butenedioate; Fumarsaeure-dipiperidid; Fumarsaeure-dipentylester; TIMTEC-BB SBB007709; fumaric acid dipentyl ester;
- NSC-155505
- NSC155505
- SCHEMBL8998925
- 53164-47-9
- SCHEMBL8166082
-
- Inchi： 1S/C18H16O4/c1-13-3-7-15(8-4-13)21-17(19)11-12-18(20)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11+
- InChI Key： HYWYICIBOKSWQA-VAWYXSNFSA-N
- SMILES： O(C(/C=C/C(=O)OC1C=CC(C)=CC=1)=O)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 296.10488
- Monoisotopic Mass: 296.104859
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 361
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 52.6
- XLogP3: 4.1
Experimental Properties
- Density: 1.177
- Boiling Point: 446.2°C at 760 mmHg
- Flash Point: 225°C
- Refractive Index: 1.572
- PSA: 52.6
- LogP: 3.37060
bis(4-methylphenyl) but-2-enedioate Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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